data_1v9v_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 1v9v _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 ' 14' ' ' MET . . . . . . . . . . . . . 4.9 ttp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.729 0.3 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -45.37 -58.23 3.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.99 -37.03 0.93 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.8 mtp85 -64.49 -60.69 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.453 ' HG ' ' CG2' ' A' ' 102' ' ' ILE . 3.1 mt -44.51 -31.92 1.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -63.95 -47.73 79.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -68.53 -28.75 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -57.81 -47.6 82.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.98 -43.97 50.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.9 m -54.27 -22.28 11.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.75 -28.89 12.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.569 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 21.2 m-85 -123.75 92.84 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.63 125.17 22.21 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.572 0.701 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 40' ' ' PHE . 5.0 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.881 0.372 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.566 ' C ' ' CD1' ' A' ' 38' ' ' LEU . 1.6 tm? -37.22 -47.06 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 41' ' ' ILE . . . -62.32 -36.41 93.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 37' ' ' VAL . 14.4 t80 -45.39 -21.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 79' ' ' ASP . 6.2 mt -82.63 -49.33 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.53 ' CD2' HG21 ' A' ' 46' ' ' VAL . 15.9 t-160 -56.83 -41.24 77.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -69.51 -44.4 71.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -63.0 -64.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' LEU . 83.8 mt -47.07 -65.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.53 HG21 ' CD2' ' A' ' 42' ' ' HIS . 39.1 t -37.28 -41.5 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -71.04 -42.69 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' ILE . 13.0 mt -58.62 -39.86 81.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.52 -52.54 63.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -44.36 -47.91 9.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.74 -49.77 64.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.1 t -49.51 -51.75 34.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.1 mt -50.62 -59.63 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.32 -32.74 50.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.453 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 43.6 mmtt -71.01 -66.14 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.4 m -46.01 -40.66 10.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.0 -34.72 52.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -111.85 9.97 20.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 63.94 44.28 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.426 ' N ' HD21 ' A' ' 60' ' ' LEU . 5.3 mt -93.93 -20.83 19.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.453 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 32.5 m -75.15 128.27 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.6 p -131.56 174.21 10.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -44.33 -59.69 2.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 65' ' ' TYR . 8.7 tpp180 -52.85 -54.1 39.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 64' ' ' ARG . 55.5 t80 -36.15 -59.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.426 ' O ' ' C ' ' A' ' 67' ' ' LEU . 21.2 m-85 -61.66 -61.95 2.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.5 mp -35.19 -49.42 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -75.36 -40.61 57.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 18.3 ttt -59.44 -27.3 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -73.36 -45.67 53.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -72.42 -24.88 61.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -73.68 -36.23 65.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.471 ' CD1' HG21 ' A' ' 96' ' ' VAL . 4.1 pp -90.34 -40.83 11.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.454 ' N ' HD13 ' A' ' 73' ' ' LEU . 17.8 mt-10 -53.7 -56.76 14.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -46.22 -51.6 14.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 78' ' ' GLN . 96.5 mt -43.54 -41.77 4.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 76' ' ' LEU . 28.3 tp -36.19 -33.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.551 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.6 pp0? -49.59 -48.9 48.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.551 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 7.5 m-20 -42.71 -37.33 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.514 ' CB ' ' CD2' ' A' ' 38' ' ' LEU . . . -80.31 -56.38 4.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.557 ' CD2' HG13 ' A' ' 89' ' ' VAL . 8.4 m170 -65.46 -7.75 15.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 78' ' ' GLN . 28.5 mm-40 -82.26 -63.19 1.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.458 ' CZ ' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -101.81 -76.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' ARG . 2.6 m -37.55 156.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 86' ' ' SER . 1.8 m-20 -98.67 158.91 15.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 85' ' ' ASP . 48.0 p -36.51 -35.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -60.39 -55.52 32.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -71.07 -36.02 72.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.557 HG13 ' CD2' ' A' ' 81' ' ' HIS . 91.6 t -66.9 -38.23 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.9 t -43.71 -45.07 6.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -59.37 -54.3 48.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.45 ' CG1' HD21 ' A' ' 38' ' ' LEU . 7.3 mm -59.88 -55.95 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.446 ' HA ' ' CG1' ' A' ' 96' ' ' VAL . 15.4 t -35.89 -53.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -47.53 -42.24 22.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.569 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.6 mp -67.96 -69.07 0.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.471 HG21 ' CD1' ' A' ' 73' ' ' LEU . 2.7 p -39.13 -41.11 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -75.83 -59.29 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -43.39 -51.64 6.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 40.9 tp -47.08 -41.14 16.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.7 mt -71.66 -26.41 62.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 16.7 mt -77.46 -22.62 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.453 ' CG2' ' HG ' ' A' ' 18' ' ' LEU . 9.8 mt -88.57 -58.61 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.118 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.2 pt -56.05 -32.55 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 54.2 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -179.919 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.769 0.318 . . . . 0.0 110.864 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.494 ' N ' ' SD ' ' A' ' 14' ' ' MET . 25.3 mt-10 -37.72 -61.8 0.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.27 -36.06 1.99 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' GLU . 66.3 mtp180 -65.95 -69.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 0.0 110.822 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.473 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 3.5 mt -36.04 -38.77 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -59.71 -47.57 85.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' ARG . 15.9 tt0 -73.82 -27.95 61.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.433 ' CE2' HD23 ' A' ' 22' ' ' LEU . 7.1 t80 -56.1 -39.86 72.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.433 HD23 ' CE2' ' A' ' 21' ' ' PHE . 1.0 OUTLIER -81.03 -43.57 19.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 51.2 m -53.73 -24.4 14.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.05 -31.6 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.573 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 20.3 m-85 -117.41 75.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.965 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.16 128.93 25.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.625 2.216 . . . . 0.0 112.362 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.49 ' CG1' ' OD1' ' A' ' 79' ' ' ASP . 9.3 t . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.855 0.359 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 80' ' ' ALA . 1.8 tm? -43.42 -56.71 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' ILE . . . -56.61 -39.58 85.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 39' ' ' GLY . 11.6 t80 -36.8 -31.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.913 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 39' ' ' GLY . 14.5 mt -73.36 -58.28 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.573 ' CD2' HG21 ' A' ' 46' ' ' VAL . 9.2 t-160 -48.28 -50.75 28.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -58.92 -48.85 80.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.463 ' NE2' HD21 ' A' ' 76' ' ' LEU . 12.7 mt-30 -57.66 -62.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 84.1 mt -47.89 -59.25 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.573 HG21 ' CD2' ' A' ' 42' ' ' HIS . 13.6 t -39.68 -42.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.75 -47.27 72.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . 11.5 mt -56.69 -59.53 4.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' LEU . . . -37.35 -50.65 1.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -47.02 -52.51 14.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -49.05 -54.05 17.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.0 t -42.47 -59.31 1.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 18' ' ' LEU . 49.6 mt -45.27 -59.54 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.79 -33.19 15.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.454 ' CB ' HG12 ' A' ' 61' ' ' VAL . 24.4 mmtm -72.83 -64.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 87.4 p -42.25 -37.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.52 -39.77 75.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -106.11 1.55 26.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.419 ' C ' HD22 ' A' ' 60' ' ' LEU . 14.9 m120 71.04 51.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.419 HD22 ' C ' ' A' ' 59' ' ' ASN . 5.1 mt -107.2 6.23 28.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.57 HG11 ' CD2' ' A' ' 65' ' ' TYR . 3.3 m -105.15 115.54 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' SER . 71.0 p -122.26 169.15 11.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.17 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 62' ' ' THR . 2.6 t -34.79 -58.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -51.61 -59.28 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.57 ' CD2' HG11 ' A' ' 61' ' ' VAL . 48.9 t80 -38.48 -44.86 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.57 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.9 m-85 -71.24 -62.88 1.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 mp -38.5 -52.17 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -66.47 -39.62 88.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.7 ttt -61.47 -36.29 80.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -66.03 -42.03 90.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.65 -36.1 73.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -63.25 -42.74 99.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.471 HD11 ' N ' ' A' ' 74' ' ' GLU . 4.1 pp -81.63 -43.99 17.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.471 ' N ' HD11 ' A' ' 73' ' ' LEU . 13.5 mt-10 -48.97 -62.24 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -42.08 -56.37 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.463 HD21 ' NE2' ' A' ' 44' ' ' GLN . 93.5 mt -42.03 -41.71 2.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.549 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 30.6 tp -36.09 -38.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.954 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.542 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 5.2 pp0? -45.84 -48.35 15.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.542 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 5.7 m-20 -41.06 -39.57 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.46 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . . . -80.67 -57.09 3.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.549 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 9.4 m170 -58.35 -11.17 2.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -83.0 -66.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.62 -56.13 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.423 ' OG ' ' CB ' ' A' ' 88' ' ' GLU . 16.6 t -44.94 146.37 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.823 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 87' ' ' GLU . 1.4 m-20 -102.09 154.43 18.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 85' ' ' ASP . 85.6 p -33.73 -34.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.9 pm0 -63.51 -50.79 68.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' ASP . 47.7 mt-10 -79.57 -46.35 17.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 22.0 t -49.9 -30.89 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.3 t -56.36 -38.71 71.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -62.79 -60.25 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 42' ' ' HIS . 19.4 mm -59.14 -55.13 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' ILE . 16.0 t -35.91 -49.94 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -52.26 -47.89 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.573 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.6 mp -62.83 -71.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.439 HG12 ' CD1' ' A' ' 77' ' ' LEU . 6.3 p -36.11 -36.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.421 ' CG ' HD11 ' A' ' 101' ' ' ILE . 8.3 ttt180 -77.48 -64.29 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 101' ' ' ILE . 25.4 mttp -41.23 -52.04 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.3 tp -43.57 -43.72 5.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.412 HD22 ' CD1' ' A' ' 73' ' ' LEU . 15.2 mt -72.64 -25.45 61.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' LYS . 11.3 mt -81.86 -19.33 10.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.415 ' HA ' ' NH1' ' A' ' 17' ' ' ARG . 17.2 mt -91.15 -63.12 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.57 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 32.4 pt -47.66 -35.15 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.7 ttt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.762 0.315 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -47.66 -57.17 5.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.44 -35.22 3.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.546 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 20' ' ' GLU . 55.7 mtp85 -68.34 -64.05 0.94 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.868 0.366 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' ARG . 5.5 mt -36.85 -40.32 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.449 ' OE1' ' CD1' ' A' ' 53' ' ' LEU . 13.0 mm-40 -61.07 -46.32 91.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 17' ' ' ARG . 15.1 tt0 -70.43 -29.37 65.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -56.74 -44.01 81.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.02 -43.09 35.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.9 m -53.48 -24.43 13.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.61 -31.19 11.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.578 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 19.7 m-85 -116.8 77.93 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -121.4 126.95 26.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 111.134 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.385 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 40' ' ' PHE . 5.0 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.87 0.367 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 37' ' ' VAL . 1.8 tm? -35.93 -57.92 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.415 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -53.41 -37.36 55.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.53 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 37' ' ' VAL . 7.9 t80 -43.28 -31.16 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.404 ' CG1' ' HB2' ' A' ' 79' ' ' ASP . 13.1 mt -71.49 -57.47 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.474 ' CD2' HG22 ' A' ' 46' ' ' VAL . 18.9 t-160 -48.48 -49.9 33.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -61.82 -46.38 89.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.422 ' NE2' HD22 ' A' ' 76' ' ' LEU . 18.4 mt-30 -59.02 -65.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 48' ' ' LEU . 97.2 mt -47.01 -63.6 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.474 HG22 ' CD2' ' A' ' 42' ' ' HIS . 14.3 t -40.79 -42.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -68.96 -34.06 74.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.7 mt -67.31 -58.66 4.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 48' ' ' LEU . . . -36.15 -49.34 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -46.22 -51.15 14.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.24 -52.89 24.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.5 t -41.58 -63.57 0.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.449 ' CD1' ' OE1' ' A' ' 19' ' ' GLN . 28.5 mt -46.41 -58.34 3.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.39 -26.37 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.455 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 46.2 mmtt -84.16 -62.97 1.43 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.7 t -46.35 -37.75 7.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.27 -36.01 73.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -108.48 5.45 25.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.6 t30 66.87 48.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.405 ' N ' HD23 ' A' ' 60' ' ' LEU . 6.3 mt -101.58 -8.29 22.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 27.9 m -86.36 128.89 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.9 p -131.18 168.76 16.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.157 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 m -39.58 -52.23 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 65' ' ' TYR . 8.0 tpt180 -58.89 -57.06 14.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 64' ' ' ARG . 67.4 t80 -34.88 -58.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -59.88 -61.9 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mt -39.24 -54.25 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.14 -40.06 86.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 18.1 ttt -59.81 -33.27 71.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -71.3 -43.56 66.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -71.59 -29.02 64.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -71.33 -38.49 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.443 HD13 ' N ' ' A' ' 74' ' ' GLU . 3.9 pp -85.3 -46.95 10.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.443 ' N ' HD13 ' A' ' 73' ' ' LEU . 16.6 mt-10 -46.93 -57.65 4.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -44.39 -53.83 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 77' ' ' LEU . 45.6 mt -41.64 -40.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 76' ' ' LEU . 31.7 tp -35.78 -39.23 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.507 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.7 pp0? -44.97 -52.15 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.507 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 7.6 m-20 -39.08 -39.88 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.74 -57.87 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.523 ' CD2' HG13 ' A' ' 89' ' ' VAL . 8.4 m170 -62.02 -8.29 5.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' GLN . 28.2 mm-40 -83.09 -56.55 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.479 ' N ' ' HD2' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -113.24 -55.47 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.415 ' OG ' ' CB ' ' A' ' 88' ' ' GLU . 10.6 t -41.21 145.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 87' ' ' GLU . 40.6 m-20 -95.03 155.7 16.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.0 p -37.88 -27.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 85' ' ' ASP . 8.4 pt-20 -69.03 -55.87 9.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.415 ' CB ' ' OG ' ' A' ' 84' ' ' SER . 7.3 mp0 -74.91 -44.6 47.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.523 HG13 ' CD2' ' A' ' 81' ' ' HIS . 12.2 t -51.42 -41.07 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.8 t -49.99 -49.28 51.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -52.72 -61.66 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' VAL . 13.5 mm -54.99 -55.39 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' ILE . 9.6 t -37.09 -43.78 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -56.48 -47.63 78.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.578 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.4 mp -63.99 -70.69 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.416 HG12 ' CD1' ' A' ' 77' ' ' LEU . 7.4 p -36.35 -34.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.0 ttm-85 -79.75 -59.64 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 101' ' ' ILE . 26.0 mttp -47.54 -51.49 20.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.4 tp -42.9 -40.39 2.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.2 mt -73.22 -30.61 63.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' LYS . 9.7 mt -77.47 -25.07 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.7 mt -85.62 -62.67 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 11.6 pt -48.25 -30.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.8 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.714 0.292 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -43.95 -50.63 8.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.37 -37.51 25.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.438 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -64.46 -56.68 12.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.456 ' HG ' ' CG2' ' A' ' 102' ' ' ILE . 3.5 mt -45.43 -30.57 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -65.71 -51.08 62.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -68.39 -30.49 69.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -52.21 -47.22 65.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 mt -74.48 -45.68 44.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.9 m -51.92 -24.12 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.48 -21.61 15.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.56 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 20.8 m-85 -130.01 76.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -119.61 129.12 25.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.145 0 C-N-CA 122.694 2.263 . . . . 0.0 112.336 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 40' ' ' PHE . 3.3 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.869 0.366 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.561 ' C ' ' CD1' ' A' ' 38' ' ' LEU . 1.4 tm? -38.81 -45.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.414 ' N ' HD11 ' A' ' 38' ' ' LEU . . . -65.6 -34.22 88.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 37' ' ' VAL . 17.6 t80 -47.39 -22.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.862 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 79' ' ' ASP . 6.8 mt -77.59 -50.41 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.562 ' CD2' HG21 ' A' ' 46' ' ' VAL . 18.4 t-160 -52.84 -52.81 55.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -58.94 -46.68 87.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -58.97 -62.12 2.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 48' ' ' LEU . 80.7 mt -50.75 -64.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.562 HG21 ' CD2' ' A' ' 42' ' ' HIS . 29.3 t -40.49 -37.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -73.07 -40.33 65.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.2 mt -63.09 -55.69 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.84 -47.67 4.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.5 mtp85 -48.38 -51.93 24.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -47.49 -52.82 16.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.1 t -42.67 -60.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.8 mt -44.95 -58.16 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.54 -28.92 22.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 47.6 mmtt -79.7 -69.38 0.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 m -40.78 -39.46 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.74 -40.97 73.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.514 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -105.47 10.88 33.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.932 0.396 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.6 m120 63.07 42.93 6.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.424 ' N ' HD23 ' A' ' 60' ' ' LEU . 5.2 mt -91.63 -24.07 19.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.442 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 31.2 m -70.42 133.68 31.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.9 p -132.54 167.33 20.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 m -41.05 -54.48 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 65' ' ' TYR . 3.7 tpp85 -57.75 -54.22 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.423 ' C ' ' O ' ' A' ' 64' ' ' ARG . 72.4 t80 -36.13 -58.06 0.68 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.562 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.2 m-85 -57.27 -63.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.6 mp -36.08 -59.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.418 ' CD ' ' OE2' ' A' ' 71' ' ' GLU . 16.5 mm-40 -60.95 -42.04 97.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.2 ttt -59.77 -32.91 71.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -68.6 -52.45 31.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.418 ' OE2' ' CD ' ' A' ' 68' ' ' GLU . 8.9 pt-20 -66.03 -29.59 69.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -68.25 -47.12 68.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 74' ' ' GLU . 3.5 pp -76.63 -47.49 22.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.951 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.453 ' N ' HD12 ' A' ' 73' ' ' LEU . 14.3 mt-10 -50.02 -56.22 11.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.9 tpp85 -44.49 -49.8 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 78' ' ' GLN . 84.1 mt -46.39 -42.03 14.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.522 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 21.9 tp -37.82 -30.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.556 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.8 pp0? -51.88 -47.98 64.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.556 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 7.0 m-20 -45.79 -35.45 4.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.454 ' N ' HD12 ' A' ' 41' ' ' ILE . . . -82.0 -58.06 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.522 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 11.5 m170 -58.93 -10.33 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -83.45 -69.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -98.88 -60.68 1.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.453 ' HB2' ' CG ' ' A' ' 38' ' ' LEU . 30.5 t -38.13 156.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 87' ' ' GLU . 5.4 m-20 -110.52 155.43 22.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 85' ' ' ASP . 11.3 p -34.22 -33.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 85' ' ' ASP . 15.9 pt-20 -63.88 -52.99 57.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' A' ' 87' ' ' GLU . 3.7 mp0 -77.37 -44.22 30.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.517 HG12 ' CD2' ' A' ' 81' ' ' HIS . 18.5 t -56.56 -26.8 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.2 t -59.4 -43.64 92.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -61.64 -62.35 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.427 ' CG2' HG21 ' A' ' 41' ' ' ILE . 13.2 mm -54.33 -52.7 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.447 ' CG2' HG13 ' A' ' 89' ' ' VAL . 8.4 t -38.15 -52.04 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.073 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -49.57 -45.84 48.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.56 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 5.0 mp -63.68 -71.13 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.7 p -36.56 -35.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -78.96 -66.56 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 101' ' ' ILE . 10.6 mttm -42.46 -47.37 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.8 tp -45.7 -43.43 12.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.6 mt -74.38 -22.47 59.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 98' ' ' LYS . 5.3 mt -85.43 -19.81 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.456 ' CG2' ' HG ' ' A' ' 18' ' ' LEU . 14.3 mt -90.49 -57.06 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.562 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 27.8 pt -56.65 -29.06 28.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.0 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.868 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.6 ttt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.715 0.293 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -43.58 -45.47 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.839 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.3 -39.04 81.29 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -62.12 -56.9 14.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.351 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' HG ' ' CG2' ' A' ' 102' ' ' ILE . 5.9 mt -41.76 -37.26 1.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -60.55 -55.3 35.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -62.3 -33.09 73.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -52.47 -44.33 65.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.45 -45.73 21.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.2 m -53.74 -25.86 20.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.8 -35.46 12.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.573 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 20.1 m-85 -117.21 80.15 1.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.25 125.17 28.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.536 0.684 . . . . 0.0 111.079 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 40' ' ' PHE . 12.8 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.858 0.361 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.422 HD21 ' CB ' ' A' ' 84' ' ' SER . 1.9 tm? -35.84 -60.53 0.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' PHE . . . -53.88 -37.79 58.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' VAL . 11.0 t80 -38.26 -32.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.424 ' CG1' ' HB2' ' A' ' 79' ' ' ASP . 13.3 mt -71.54 -60.01 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.553 ' CD2' HG21 ' A' ' 46' ' ' VAL . 20.8 t-160 -48.18 -48.22 34.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -61.49 -44.14 97.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.418 ' NE2' HD21 ' A' ' 76' ' ' LEU . 13.5 mt-30 -64.14 -71.93 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.453 ' CG2' HD22 ' A' ' 99' ' ' LEU . 86.6 mt -38.8 -60.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.553 HG21 ' CD2' ' A' ' 42' ' ' HIS . 42.7 t -43.02 -41.14 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -71.47 -34.8 70.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.4 mt -65.23 -57.9 7.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -37.45 -47.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -46.99 -52.01 15.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -53.04 -44.19 67.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.6 t -50.85 -54.13 26.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.5 mt -50.78 -57.92 7.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.17 -32.31 35.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HE3' ' CE1' ' A' ' 65' ' ' TYR . 39.8 mmtt -71.2 -65.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.463 ' N ' HG11 ' A' ' 61' ' ' VAL . 3.8 t -50.21 -34.94 24.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.34 -35.76 91.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -109.09 11.39 25.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.392 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.1 m120 64.08 46.26 3.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mt -99.98 -24.46 14.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.463 HG11 ' N ' ' A' ' 56' ' ' SER . 23.9 m -65.96 118.68 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.6 p -122.08 159.98 25.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.9 m -37.6 -49.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -61.03 -49.79 75.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.46 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 61.6 t80 -39.68 -58.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.566 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.5 m-85 -60.49 -61.77 2.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' PHE . 3.6 mt -36.92 -58.94 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -63.42 -41.26 98.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.3 ttt -56.37 -37.81 70.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -63.64 -47.2 82.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.25 -33.2 72.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -65.3 -44.1 88.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.46 ' CD2' HD23 ' A' ' 100' ' ' LEU . 3.6 pp -80.4 -48.5 12.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -44.77 -63.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.7 tpt85 -40.14 -56.52 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 77' ' ' LEU . 78.5 mt -39.97 -40.41 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 76' ' ' LEU . 26.7 tp -35.61 -40.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.531 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.3 pp0? -45.34 -49.67 12.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.531 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 7.1 m-20 -39.63 -35.9 0.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.47 -58.31 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.404 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 7.8 m170 -61.5 -7.93 3.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 78' ' ' GLN . 18.1 mm-40 -80.44 -60.29 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.499 ' N ' ' HD2' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -114.23 -52.03 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.422 ' CB ' HD21 ' A' ' 38' ' ' LEU . 14.5 t -42.66 150.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 87' ' ' GLU . 21.5 m-20 -101.75 150.98 22.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 85' ' ' ASP . 13.6 t -37.92 -26.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 85' ' ' ASP . 9.6 pt-20 -67.79 -46.6 71.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 85' ' ' ASP . 24.5 mt-10 -86.79 -33.61 19.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.5 t -64.51 -34.83 72.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.6 t -51.54 -44.97 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -61.6 -64.67 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.0 mm -49.77 -49.59 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.4 t -41.87 -46.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -53.36 -44.1 68.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.573 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.9 mp -64.25 -70.83 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.9 p -38.82 -37.14 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.4 ttm-85 -75.59 -64.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 101' ' ' ILE . 9.4 mttm -43.14 -51.87 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.453 HD22 ' CG2' ' A' ' 45' ' ' ILE . 23.2 tp -40.93 -49.69 3.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.46 HD23 ' CD2' ' A' ' 73' ' ' LEU . 22.9 mt -63.98 -29.71 70.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 98' ' ' LYS . 10.0 mt -78.92 -29.47 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.425 ' CG2' ' HG ' ' A' ' 18' ' ' LEU . 20.6 mt -79.93 -62.91 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.566 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 31.9 pt -47.99 -27.04 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.911 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.8 ttp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.77 0.319 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' ARG . 13.7 mm-40 -46.89 -64.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' GLU . . . -36.29 -33.32 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 15' ' ' GLU . 59.6 mtp180 -71.71 -66.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 0.0 110.86 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' ARG . 4.5 mt -37.29 -34.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -64.22 -57.21 10.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.42 -31.11 71.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -55.31 -45.22 76.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 mt -76.97 -44.83 29.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.7 m -52.82 -24.65 9.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.22 -27.86 12.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.576 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 18.4 m-30 -120.11 78.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -123.47 120.04 27.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.587 0.708 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.248 . . . . 0.0 112.369 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.443 HG13 ' NE ' ' A' ' 83' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.867 0.365 . . . . 0.0 111.133 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.531 ' C ' ' CD1' ' A' ' 38' ' ' LEU . 1.6 tm? -39.82 -52.76 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.473 ' N ' HD11 ' A' ' 38' ' ' LEU . . . -53.17 -33.81 46.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 37' ' ' VAL . 4.3 t80 -45.49 -32.08 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 110.882 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.471 HD13 ' N ' ' A' ' 80' ' ' ALA . 14.0 mt -74.32 -60.24 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -46.56 -44.63 18.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -66.03 -45.87 79.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -60.3 -56.67 18.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 84.2 mt -54.57 -62.67 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -45.31 -31.09 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -78.58 -36.3 44.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.2 mt -68.99 -47.75 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.67 -49.2 14.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.086 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -47.59 -53.12 15.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -49.67 -45.61 48.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.2 t -47.03 -55.37 8.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.3 mt -51.39 -60.74 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.78 -29.61 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.05 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.47 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 34.3 mmtt -76.66 -66.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.2 m -45.8 -39.66 8.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.91 -38.89 76.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -104.7 3.47 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 68.9 48.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 60' ' ' LEU . 5.8 mt -100.03 -22.01 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.47 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 29.5 m -69.2 122.34 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 63' ' ' SER . 63.2 p -122.55 158.15 30.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 62' ' ' THR . 33.7 p -34.55 -54.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.827 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 65' ' ' TYR . 0.7 OUTLIER -59.55 -52.25 66.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.434 ' C ' ' O ' ' A' ' 64' ' ' ARG . 64.4 t80 -35.38 -57.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.499 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.1 m-85 -58.93 -63.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' PHE . 4.2 mm? -34.02 -57.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -61.59 -39.78 92.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.469 ' N ' ' O ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -60.02 -44.04 94.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -66.57 -49.75 65.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -63.32 -31.06 72.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -69.98 -52.63 22.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 74' ' ' GLU . 2.3 pp -68.65 -47.96 65.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.481 ' N ' HD12 ' A' ' 73' ' ' LEU . 17.8 mt-10 -45.73 -55.45 6.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -49.57 -52.33 30.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 77' ' ' LEU . 93.9 mt -42.52 -41.44 2.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.534 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 25.5 tp -35.74 -34.59 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.445 ' CD ' ' N ' ' A' ' 79' ' ' ASP . 4.2 pp0? -47.25 -51.07 19.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.445 ' N ' ' CD ' ' A' ' 78' ' ' GLN . 15.4 m-20 -44.45 -40.23 5.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.471 ' N ' HD13 ' A' ' 41' ' ' ILE . . . -76.56 -57.12 4.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.534 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 11.9 m170 -61.55 -8.79 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -86.81 -69.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -94.8 -65.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' ARG . 8.0 t -34.12 148.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 87' ' ' GLU . 19.6 t70 -98.74 155.03 17.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 85' ' ' ASP . 87.6 p -35.77 -31.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 85' ' ' ASP . 4.8 tp10 -64.88 -63.87 1.01 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -66.51 -45.56 79.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 62.7 t -49.29 -46.26 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.3 t -50.09 -33.9 20.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -64.56 -58.65 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.42 ' CG1' HD22 ' A' ' 38' ' ' LEU . 5.4 mm -59.8 -47.11 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.16 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.9 t -43.16 -43.68 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -57.2 -46.8 82.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.576 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.2 mp -65.14 -69.54 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.6 p -36.5 -35.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.6 ttm-85 -79.81 -60.42 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 101' ' ' ILE . 26.1 mttp -45.18 -55.09 6.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.431 ' CD2' HD23 ' A' ' 73' ' ' LEU . 33.9 tp -40.31 -42.65 1.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.447 ' CD2' HD13 ' A' ' 73' ' ' LEU . 26.4 mt -71.62 -33.02 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.49 ' N ' ' O ' ' A' ' 98' ' ' LYS . 9.4 mt -71.52 -24.84 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.0 mt -86.98 -58.34 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.499 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 8.2 pt -56.26 -31.09 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.3 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.907 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.747 0.308 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -41.25 -56.79 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.43 -37.84 4.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -62.89 -59.44 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.806 0.336 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 102' ' ' ILE . 3.2 mt -45.76 -30.82 1.75 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -63.53 -47.71 80.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -70.41 -25.7 63.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.484 ' CZ ' HD21 ' A' ' 95' ' ' LEU . 21.9 t80 -57.6 -40.8 79.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.93 -36.36 36.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.7 m -62.03 -22.26 65.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.35 -28.99 11.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.57 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 19.8 m-85 -126.19 102.55 7.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -135.65 120.71 13.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.709 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.267 . . . . 0.0 112.344 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 40' ' ' PHE . 9.3 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.875 0.369 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.472 ' C ' ' CD1' ' A' ' 38' ' ' LEU . 1.2 tm? -35.91 -55.87 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.99 -34.91 62.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' A' ' 37' ' ' VAL . 8.7 t80 -44.3 -34.83 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 79' ' ' ASP . 10.3 mt -64.95 -60.38 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.463 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 5.9 t-160 -41.51 -45.5 3.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -67.18 -46.77 72.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -59.52 -68.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' LEU . 97.7 mt -45.12 -69.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 42' ' ' HIS . 89.0 t -36.45 -43.64 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -66.6 -41.2 88.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 45' ' ' ILE . 13.6 mt -63.29 -39.56 94.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.95 -47.59 77.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -50.42 -50.1 52.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -52.59 -46.16 66.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.69 -58.81 5.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.1 mt -40.42 -58.14 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.81 -40.39 66.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.458 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 35.3 mmtt -61.47 -66.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.2 t -49.68 -30.33 8.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.09 -31.37 79.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -115.97 18.98 15.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 57.98 48.39 13.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.419 ' N ' HD22 ' A' ' 60' ' ' LEU . 6.2 mt -100.56 -30.69 11.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.461 HG11 ' CE2' ' A' ' 65' ' ' TYR . 19.5 m -63.1 112.25 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 63' ' ' SER . 50.5 p -115.3 159.25 21.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' THR . 12.6 t -35.51 -50.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -61.87 -48.26 81.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.461 ' CE2' HG11 ' A' ' 61' ' ' VAL . 40.1 t80 -41.1 -47.22 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.572 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 23.3 m-85 -71.71 -62.75 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.5 mp -36.0 -45.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -73.39 -44.12 59.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.4 ' N ' ' O ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -56.6 -52.77 63.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -49.2 -44.76 43.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -73.15 -38.17 66.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -62.16 -36.31 81.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.43 HD13 ' CG2' ' A' ' 96' ' ' VAL . 4.1 pp -88.11 -44.37 10.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -48.75 -64.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -40.57 -56.73 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 77' ' ' LEU . 89.9 mt -40.15 -39.08 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.442 ' CD1' HG12 ' A' ' 96' ' ' VAL . 27.8 tp -35.7 -38.73 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.498 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.6 pp0? -46.54 -48.79 19.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.498 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 9.5 m-20 -40.76 -33.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.452 ' CB ' HD23 ' A' ' 38' ' ' LEU . . . -88.35 -57.55 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.438 ' CD2' HG12 ' A' ' 89' ' ' VAL . 9.7 m170 -61.51 -8.24 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 78' ' ' GLN . 22.2 mm-40 -83.38 -60.32 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.74 -54.22 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.6 t -39.85 157.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 87' ' ' GLU . 1.5 m-20 -110.92 158.5 18.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 85' ' ' ASP . 48.9 p -37.04 -28.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 85' ' ' ASP . 8.1 tt0 -69.71 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.82 -44.59 89.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.438 HG12 ' CD2' ' A' ' 81' ' ' HIS . 16.0 t -52.85 -39.21 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.8 t -51.93 -44.97 64.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -58.06 -60.06 4.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 95' ' ' LEU . 14.9 mm -57.59 -57.41 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 92' ' ' ILE . 13.0 t -35.56 -47.83 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -54.19 -42.99 70.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.57 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.4 mp -68.96 -70.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.442 HG12 ' CD1' ' A' ' 77' ' ' LEU . 5.7 p -35.88 -37.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -80.87 -57.92 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -44.78 -51.0 9.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 37.4 tp -45.14 -46.49 11.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.85 -28.35 69.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.0 mt -74.72 -26.43 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.471 ' CG2' ' HG ' ' A' ' 18' ' ' LEU . 10.4 mt -87.12 -63.03 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.572 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 15.0 pt -49.61 -29.41 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 -179.905 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.477 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.768 0.318 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.477 ' N ' ' SD ' ' A' ' 14' ' ' MET . 39.2 mt-10 -51.55 -47.15 63.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.95 -26.17 18.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.46 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 19' ' ' GLN . 13.0 mtp85 -76.95 -59.57 2.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' HG ' ' CG2' ' A' ' 102' ' ' ILE . 3.2 mt -40.0 -28.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 17' ' ' ARG . 21.4 mt-30 -66.67 -49.98 64.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -67.65 -28.86 68.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -57.08 -44.62 83.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mt -77.7 -41.54 37.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 60.1 m -57.64 -22.69 47.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.91 -25.63 14.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.078 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.529 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 20.6 m-85 -126.16 85.01 2.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.921 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -124.62 128.2 25.0 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.562 0.696 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.136 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.429 HG23 ' CZ ' ' A' ' 83' ' ' ARG . 2.9 t . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.857 0.36 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.463 HD21 ' CB ' ' A' ' 80' ' ' ALA . 2.3 tm? -44.37 -49.85 9.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.95 -22.98 67.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.425 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.435 ' CD2' ' NE2' ' A' ' 44' ' ' GLN . 6.3 t80 -52.85 -33.4 49.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.461 HG23 ' CG2' ' A' ' 92' ' ' ILE . 11.8 mt -69.06 -59.15 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.569 ' CD2' HG23 ' A' ' 46' ' ' VAL . 17.9 t-160 -47.32 -49.54 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.814 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -60.67 -42.65 97.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.435 ' NE2' ' CD2' ' A' ' 40' ' ' PHE . 22.7 mt-30 -68.24 -67.8 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 48' ' ' LEU . 52.5 mt -42.44 -65.05 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.569 HG23 ' CD2' ' A' ' 42' ' ' HIS . 53.4 t -34.33 -41.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -69.92 -45.2 68.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.7 mt -57.32 -44.16 83.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.69 -50.83 64.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -48.61 -46.64 39.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.84 -52.07 52.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -44.4 -59.25 2.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.7 mt -44.61 -59.09 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.48 -34.43 61.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.48 ' CB ' ' CG1' ' A' ' 61' ' ' VAL . 28.1 mmtm -69.42 -64.28 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.1 m -42.46 -45.23 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -48.41 -43.49 27.31 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -100.52 4.4 43.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 68.83 47.53 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.413 ' HB2' ' CD ' ' A' ' 55' ' ' LYS . 7.0 mt -103.64 12.44 34.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.48 ' CG1' ' CB ' ' A' ' 55' ' ' LYS . 20.4 m -116.71 118.78 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.1 p -130.49 171.0 13.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.4 p -37.26 -42.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 65' ' ' TYR . 6.5 tpt180 -67.19 -62.57 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.444 ' C ' ' O ' ' A' ' 64' ' ' ARG . 84.4 t80 -34.9 -49.79 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.493 ' O ' ' N ' ' A' ' 69' ' ' MET . 29.9 m-85 -64.23 -63.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -34.29 -61.43 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -58.53 -36.27 73.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.81 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 66' ' ' PHE . 10.7 ttt -65.09 -62.63 1.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.451 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 9.9 mt-30 -39.56 -43.11 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.15 -40.1 65.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -59.95 -36.13 76.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.457 HD13 ' N ' ' A' ' 74' ' ' GLU . 3.7 pp -88.72 -43.86 10.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.457 ' N ' HD13 ' A' ' 73' ' ' LEU . 17.4 mt-10 -50.71 -58.19 6.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -43.2 -53.57 5.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 77' ' ' LEU . 74.4 mt -42.58 -41.51 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.537 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 29.5 tp -36.05 -35.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.5 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.4 pp0? -46.39 -51.8 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.5 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 6.8 m-20 -38.25 -35.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.463 ' CB ' HD21 ' A' ' 38' ' ' LEU . . . -84.0 -55.98 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.537 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 7.8 m170 -62.41 -7.76 4.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 78' ' ' GLN . 15.1 mt-10 -86.35 -49.97 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -115.71 -73.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 83' ' ' ARG . 95.6 p -34.75 152.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.47 ' O ' ' C ' ' A' ' 86' ' ' SER . 0.7 OUTLIER -98.86 158.08 15.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 85' ' ' ASP . 60.0 p -32.36 -38.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 85' ' ' ASP . 5.0 mp0 -61.09 -65.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -60.55 -33.66 72.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.458 HG13 ' CG2' ' A' ' 93' ' ' VAL . 15.9 t -70.89 -25.13 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.4 p -58.36 -36.34 73.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -67.22 -58.92 3.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.461 ' CG2' HG23 ' A' ' 41' ' ' ILE . 12.2 mm -60.5 -52.53 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.458 ' CG2' HG13 ' A' ' 89' ' ' VAL . 3.0 t -38.4 -49.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -52.51 -43.66 65.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.529 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.7 mp -64.64 -69.28 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.415 HG12 ' CD1' ' A' ' 77' ' ' LEU . 4.8 p -38.07 -35.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.434 ' CG ' HD13 ' A' ' 101' ' ' ILE . 12.7 ttm180 -79.06 -64.98 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 101' ' ' ILE . 9.0 mttm -43.55 -48.84 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.4 tp -43.1 -46.18 5.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 70' ' ' GLN . 7.8 mt -71.87 -24.5 61.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 98' ' ' LYS . 13.8 mt -80.95 -16.07 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.425 ' CG2' ' HG ' ' A' ' 18' ' ' LEU . 13.2 mt -96.74 -63.1 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.093 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.467 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 24.5 pt -50.26 -29.03 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.925 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.471 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.471 ' N ' ' SD ' ' A' ' 14' ' ' MET . 57.5 mt-10 -41.16 -59.34 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -38.85 -39.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 20' ' ' GLU . 56.0 mtp85 -63.48 -65.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' ARG . 3.4 mt -36.0 -39.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.503 ' OE1' ' CD1' ' A' ' 53' ' ' LEU . 15.5 mm-40 -59.49 -49.3 78.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' ARG . 14.3 tt0 -71.88 -25.67 62.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.448 ' CE2' HD23 ' A' ' 22' ' ' LEU . 4.5 t80 -58.12 -39.48 78.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.448 HD23 ' CE2' ' A' ' 21' ' ' PHE . 0.8 OUTLIER -81.58 -43.62 18.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.7 m -53.56 -25.53 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.24 -34.57 12.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.574 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 7.8 m-85 -112.8 48.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.0 114.05 61.57 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 111.075 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.704 2.269 . . . . 0.0 112.372 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 40' ' ' PHE . 6.5 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.889 0.376 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 39' ' ' GLY . 1.6 tm? -35.76 -49.88 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.464 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -60.66 -39.27 96.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.526 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 37' ' ' VAL . 8.7 t80 -40.24 -28.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.854 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.447 ' CG2' HD12 ' A' ' 45' ' ' ILE . 10.9 mt -76.78 -56.39 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -52.26 -48.29 65.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -63.39 -41.14 98.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 40' ' ' PHE . 12.6 mt-30 -64.72 -66.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' A' ' 48' ' ' LEU . 84.2 mt -45.76 -65.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.3 t -41.43 -34.97 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -77.14 -35.69 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.5 mt -66.98 -56.03 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -38.69 -47.41 1.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -46.64 -50.81 17.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.33 -50.3 62.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.6 t -43.54 -58.57 2.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.503 ' CD1' ' OE1' ' A' ' 19' ' ' GLN . 53.5 mt -50.44 -56.7 10.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.07 -28.8 11.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.451 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 26.0 mmtt -78.22 -63.35 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.8 m -48.75 -40.7 29.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.66 -31.28 53.0 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -112.14 1.55 16.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 t30 71.31 45.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 mt -97.86 -20.61 17.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.451 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 31.0 m -70.76 133.75 31.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.8 p -133.49 164.53 26.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.5 t -41.55 -48.93 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' TYR . 9.0 tpt180 -62.26 -52.37 64.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' ARG . 58.7 t80 -37.27 -57.19 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.528 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 22.0 m-85 -62.16 -63.18 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PHE . 3.9 mt -36.8 -46.59 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -74.76 -45.75 41.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.9 ttt -52.62 -38.11 59.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -62.93 -45.43 92.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -71.07 -34.32 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -63.96 -41.59 97.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 pp -83.84 -48.33 10.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -43.78 -66.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -37.61 -56.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 77' ' ' LEU . 65.4 mt -39.58 -41.23 0.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.559 HD22 ' CE1' ' A' ' 81' ' ' HIS . 31.4 tp -35.62 -40.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.53 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.8 pp0? -44.57 -49.67 10.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.53 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 6.8 m-20 -40.56 -36.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.8 -58.49 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.564 ' CD2' HG13 ' A' ' 89' ' ' VAL . 7.9 m170 -60.99 -8.59 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 78' ' ' GLN . 27.6 mm-40 -83.76 -68.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.6 -54.02 3.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.427 ' HB3' ' CG2' ' A' ' 89' ' ' VAL . 5.2 t -43.35 156.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 87' ' ' GLU . 6.3 m-20 -103.76 154.01 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.0 p -38.07 -27.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 85' ' ' ASP . 31.0 mt-10 -69.27 -66.24 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.88 -40.93 97.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.564 HG13 ' CD2' ' A' ' 81' ' ' HIS . 17.4 t -55.25 -38.41 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.4 t -48.63 -50.24 33.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -55.03 -63.81 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.437 ' CG2' HG21 ' A' ' 41' ' ' ILE . 8.7 mm -48.95 -50.74 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.5 t -44.99 -46.36 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -56.45 -47.94 78.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.574 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.1 mp -61.99 -67.19 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.6 p -38.74 -38.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.472 ' HG2' ' N ' ' A' ' 98' ' ' LYS . 3.0 ttt85 -76.93 -64.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.472 ' N ' ' HG2' ' A' ' 97' ' ' ARG . 25.6 mttp -40.74 -46.6 2.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.455 HD21 ' CG2' ' A' ' 45' ' ' ILE . 23.3 tp -47.97 -46.21 32.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.75 -27.27 63.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.464 HD12 ' CG ' ' A' ' 97' ' ' ARG . 11.1 mt -76.92 -18.62 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 15.4 mt -93.13 -61.65 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.528 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 32.5 pt -50.62 -28.47 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.929 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.439 ' CE ' ' HA ' ' A' ' 103' ' ' ILE . 7.1 ttt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.735 0.302 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -45.19 -52.79 8.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.99 -37.75 9.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 18' ' ' LEU . 62.2 mtt180 -67.26 -63.03 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 17' ' ' ARG . 4.8 mt -36.56 -40.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -58.86 -56.04 27.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -62.78 -30.76 71.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -57.21 -44.54 83.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mt -79.09 -46.15 18.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.9 m -53.19 -23.5 8.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.75 -36.51 10.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.576 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 17.6 m-85 -114.22 65.69 0.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.13 114.06 63.98 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.614 0.721 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 40' ' ' PHE . 12.3 t . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.842 0.353 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.459 HD23 ' CB ' ' A' ' 84' ' ' SER . 2.0 tm? -35.72 -57.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.06 -35.54 64.68 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.481 ' CD2' ' NE2' ' A' ' 44' ' ' GLN . 7.0 t80 -41.15 -31.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.464 ' CG1' ' HB2' ' A' ' 79' ' ' ASP . 15.5 mt -73.95 -59.66 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.564 ' CD2' HG22 ' A' ' 46' ' ' VAL . 18.0 t-160 -46.06 -43.49 14.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -68.89 -53.71 19.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.481 ' NE2' ' CD2' ' A' ' 40' ' ' PHE . 16.1 mt-30 -53.21 -60.69 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.3 mt -50.1 -63.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.564 HG22 ' CD2' ' A' ' 42' ' ' HIS . 75.4 t -45.16 -28.3 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.38 -40.26 36.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.6 mt -66.75 -48.36 69.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -44.71 -49.08 10.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -48.61 -52.3 23.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -48.03 -50.85 26.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' LYS . 5.1 t -46.91 -64.91 0.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' CYS . 18.8 mt -36.53 -58.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.05 -38.43 65.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.541 ' HE3' ' CE1' ' A' ' 65' ' ' TYR . 34.5 mmtt -65.73 -66.79 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.9 p -44.63 -40.13 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.96 -40.91 83.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.449 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -104.26 13.22 32.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.2 m120 59.95 50.3 6.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.415 ' HB2' ' CD ' ' A' ' 55' ' ' LYS . 7.0 mt -102.23 -24.52 13.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.435 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 23.1 m -65.88 118.44 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.5 p -120.06 163.06 18.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.0 p -37.65 -57.88 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 tpp85 -56.03 -49.81 72.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.541 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 61.3 t80 -39.19 -48.15 1.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.553 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.3 m-85 -71.94 -64.17 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' PHE . 3.0 mp -33.97 -53.86 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -64.59 -42.37 95.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -57.9 -51.38 69.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -53.19 -49.92 65.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -65.87 -36.08 82.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -64.58 -50.3 67.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.469 ' CD1' HD21 ' A' ' 100' ' ' LEU . 3.7 pp -71.51 -44.24 65.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -49.28 -63.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.5 tpp85 -41.65 -54.84 3.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 77' ' ' LEU . 95.3 mt -40.43 -40.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.554 HD23 ' CE1' ' A' ' 81' ' ' HIS . 32.7 tp -35.81 -39.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.517 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.9 pp0? -44.57 -49.32 10.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.517 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 7.7 m-20 -40.54 -37.2 0.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.407 ' N ' HD13 ' A' ' 41' ' ' ILE . . . -82.11 -59.63 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.554 ' CE1' HD23 ' A' ' 77' ' ' LEU . 7.9 m170 -60.56 -8.73 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 78' ' ' GLN . 7.5 mt-10 -80.95 -65.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.8 -58.66 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.459 ' CB ' HD23 ' A' ' 38' ' ' LEU . 37.2 t -38.88 156.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 87' ' ' GLU . 14.6 m-20 -102.11 157.29 16.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.5 p -39.61 -27.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 85' ' ' ASP . 10.7 tp10 -69.16 -66.2 0.61 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -62.36 -38.59 90.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 89.9 t -57.2 -46.14 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.2 t -45.53 -41.87 10.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -60.34 -58.12 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.1 mm -57.93 -52.99 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.3 t -39.65 -47.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -54.17 -44.66 71.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.576 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 5.0 mp -65.32 -66.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.457 ' CG2' HD11 ' A' ' 73' ' ' LEU . 5.9 p -43.16 -35.9 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -76.34 -62.56 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 101' ' ' ILE . 10.7 mttm -44.48 -53.57 6.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.442 HD21 ' CD2' ' A' ' 73' ' ' LEU . 28.2 tp -39.92 -44.68 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' A' ' 73' ' ' LEU . 21.1 mt -71.19 -33.53 70.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 98' ' ' LYS . 14.5 mt -71.63 -26.23 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 17.7 mt -82.27 -63.13 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.553 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 18.4 pt -52.83 -37.23 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.8 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.861 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.1 ttt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.81 0.338 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -49.3 -58.29 5.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.05 -33.77 0.26 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HB2' ' CG2' ' A' ' 102' ' ' ILE . 46.7 mtp85 -68.28 -58.31 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mt -43.44 -38.98 3.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -56.84 -54.09 50.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -63.43 -33.93 76.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.416 ' CD2' HD22 ' A' ' 22' ' ' LEU . 13.7 t80 -55.07 -45.5 75.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.841 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.416 HD22 ' CD2' ' A' ' 21' ' ' PHE . 1.2 mt -76.99 -44.76 29.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.9 m -54.11 -25.17 20.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.52 -33.47 11.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.581 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 20.3 m-85 -117.45 76.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.76 115.37 35.21 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.197 0 C-N-CA 122.635 2.224 . . . . 0.0 112.367 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.885 0.374 . . . . 0.0 111.169 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.477 ' C ' ' CD1' ' A' ' 38' ' ' LEU . 1.3 tm? -35.91 -58.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 40' ' ' PHE . . . -47.82 -37.9 15.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.495 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 37' ' ' VAL . 1.8 t80 -35.13 -45.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.868 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' HIS . 13.5 mt -59.61 -68.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.567 ' CD2' HG22 ' A' ' 46' ' ' VAL . 18.7 t-160 -36.69 -42.0 0.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -63.78 -49.18 73.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.459 ' NE2' HD21 ' A' ' 76' ' ' LEU . 11.9 mt-30 -61.42 -63.25 1.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 48' ' ' LEU . 96.8 mt -44.43 -66.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.567 HG22 ' CD2' ' A' ' 42' ' ' HIS . 20.9 t -39.14 -42.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.84 -42.8 76.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 45' ' ' ILE . 14.7 mt -60.97 -46.68 89.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.27 -50.64 49.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -47.52 -53.07 15.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -47.45 -54.19 12.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' LYS . 3.9 t -43.15 -63.88 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.3 mt -38.38 -57.82 1.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.32 -34.23 32.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.465 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 28.5 mmtm -71.95 -66.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 t -42.79 -41.58 3.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.69 -37.7 62.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.526 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -105.58 4.68 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.5 t30 66.8 45.8 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mt -97.82 -21.87 16.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.465 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 20.1 m -67.95 128.55 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.3 p -132.97 166.97 21.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.0 p -37.63 -57.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.421 ' NH1' ' HB2' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -54.94 -53.29 57.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.444 ' CZ ' ' HG3' ' A' ' 55' ' ' LYS . 47.7 t80 -39.31 -48.92 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.513 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 22.0 m-85 -72.0 -63.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.5 mp -35.61 -57.25 0.64 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.2 -47.25 85.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -51.73 -41.98 61.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -61.81 -54.05 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.93 -30.6 71.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -67.86 -52.03 41.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.474 HD11 ' N ' ' A' ' 74' ' ' GLU . 3.6 pp -70.4 -46.19 64.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.474 ' N ' HD11 ' A' ' 73' ' ' LEU . 18.0 mt-10 -46.92 -63.24 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -40.65 -53.8 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.459 HD21 ' NE2' ' A' ' 44' ' ' GLN . 68.3 mt -43.15 -42.91 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.489 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 29.8 tp -35.57 -33.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' LEU . 4.1 pp0? -45.77 -51.21 13.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.425 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 7.8 m-20 -43.22 -41.18 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.44 -59.27 2.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.489 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 11.3 m170 -60.78 -8.71 3.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 78' ' ' GLN . 41.9 mm-40 -83.02 -68.86 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.444 ' NE ' HG13 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -99.5 -59.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 83' ' ' ARG . 7.7 t -35.87 152.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' GLU . 1.0 OUTLIER -102.34 150.57 23.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 85' ' ' ASP . 85.7 p -34.09 -35.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 85' ' ' ASP . 18.2 tt0 -59.74 -65.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -66.56 -45.49 79.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 64.1 t -46.65 -36.12 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.3 t -58.17 -42.41 85.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -56.52 -61.88 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 95' ' ' LEU . 11.4 mm -56.18 -52.56 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.5 t -37.81 -48.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -51.99 -43.56 63.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.581 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.8 mp -66.78 -70.04 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.429 ' CG2' HD11 ' A' ' 73' ' ' LEU . 7.5 p -39.33 -35.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' A' ' 98' ' ' LYS . 6.8 ttt180 -79.54 -64.42 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.467 ' N ' ' HG2' ' A' ' 97' ' ' ARG . 13.1 mttm -40.54 -52.26 2.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 34.9 tp -41.44 -49.85 3.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.5 mt -64.79 -30.11 71.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 98' ' ' LYS . 3.7 mt -75.97 -21.71 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.437 ' CG2' ' HB2' ' A' ' 17' ' ' ARG . 10.5 mt -92.24 -63.09 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.513 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 26.0 pt -49.09 -27.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.486 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.74 0.305 . . . . 0.0 110.837 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.486 ' N ' ' SD ' ' A' ' 14' ' ' MET . 65.8 mt-10 -42.03 -56.16 2.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.83 -36.6 8.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.54 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 -63.55 -62.91 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.339 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.416 ' HG ' ' CG2' ' A' ' 102' ' ' ILE . 2.8 mt -42.74 -35.1 1.04 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -59.5 -53.98 51.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -69.14 -29.79 67.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.485 ' CE2' HD21 ' A' ' 22' ' ' LEU . 10.9 t80 -55.08 -45.34 75.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.485 HD21 ' CE2' ' A' ' 21' ' ' PHE . 1.0 OUTLIER -78.34 -46.17 20.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.4 m -50.9 -25.4 4.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.22 -35.33 10.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.567 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 17.4 m-85 -113.9 67.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.897 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.24 121.28 39.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.585 0.707 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.252 . . . . 0.0 112.375 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.441 ' CG1' ' OD1' ' A' ' 79' ' ' ASP . 14.0 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.841 0.353 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 39' ' ' GLY . 1.8 tm? -35.97 -50.65 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.447 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -61.28 -40.88 99.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.518 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' VAL . 10.6 t80 -40.16 -27.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 79' ' ' ASP . 10.8 mt -76.25 -54.96 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.178 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -52.98 -42.01 65.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -70.33 -40.63 74.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -65.71 -65.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 48' ' ' LEU . 88.2 mt -47.43 -66.79 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -38.02 -40.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -69.9 -39.52 76.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 45' ' ' ILE . 13.8 mt -63.89 -46.62 84.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.74 -48.85 40.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -46.06 -50.54 15.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.42 -41.47 69.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.2 t -52.26 -58.48 6.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.4 mt -48.82 -57.04 7.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.65 -33.29 32.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.426 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 35.6 mmtt -71.75 -66.35 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 65.4 m -44.71 -39.72 5.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.52 -38.97 72.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -104.1 5.01 34.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 66.98 47.25 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.403 ' N ' HD21 ' A' ' 60' ' ' LEU . 6.2 mt -97.5 -34.56 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.426 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 28.9 m -54.54 116.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 63' ' ' SER . 61.9 p -120.9 160.18 23.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 62' ' ' THR . 22.4 p -34.86 -49.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -60.01 -52.19 66.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -40.7 -55.47 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.555 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 24.3 m-85 -63.71 -63.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' PHE . 4.4 mt -37.12 -49.44 0.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -70.41 -46.74 63.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.41 -52.67 44.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -53.28 -49.27 67.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.87 -28.91 67.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -72.04 -44.45 63.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.468 HD13 ' CG2' ' A' ' 96' ' ' VAL . 3.5 pp -78.05 -49.42 14.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.451 ' N ' HD11 ' A' ' 73' ' ' LEU . 16.4 mt-10 -43.78 -63.66 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 75' ' ' ARG . 0.7 OUTLIER -39.24 -56.22 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' LEU . 80.1 mt -40.73 -39.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.45 ' CD1' HG13 ' A' ' 96' ' ' VAL . 28.1 tp -35.89 -39.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.52 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.8 pp0? -48.1 -49.22 32.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.52 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 5.8 m-20 -40.59 -38.38 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.432 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -80.88 -60.88 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.44 ' CE1' HD22 ' A' ' 77' ' ' LEU . 9.2 m170 -57.14 -11.63 1.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.8 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.13 -65.85 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.483 ' N ' ' HD2' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -107.92 -47.91 3.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.2 t -46.04 143.02 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 87' ' ' GLU . 10.1 t70 -92.31 153.85 18.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 85' ' ' ASP . 71.6 p -37.26 -27.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 85' ' ' ASP . 46.4 mt-10 -67.56 -66.29 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -65.45 -36.83 85.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.44 HG13 ' CD2' ' A' ' 81' ' ' HIS . 40.9 t -57.92 -44.65 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.3 t -48.41 -44.25 34.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -57.36 -63.12 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.419 ' CG2' HG23 ' A' ' 41' ' ' ILE . 17.0 mm -53.73 -48.49 60.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.9 t -41.63 -47.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -53.91 -44.17 70.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.567 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 5.0 mp -64.13 -70.2 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.468 ' CG2' HD13 ' A' ' 73' ' ' LEU . 7.0 p -38.73 -36.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -77.98 -66.27 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 101' ' ' ILE . 10.3 mttm -40.44 -52.56 2.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 21.8 tp -42.75 -43.95 4.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.6 mt -72.18 -27.56 62.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 98' ' ' LYS . 5.6 mt -81.03 -19.6 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.416 ' CG2' ' HG ' ' A' ' 18' ' ' LEU . 19.0 mt -88.28 -61.62 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.555 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 14.7 pt -54.62 -26.76 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.491 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.748 0.308 . . . . 0.0 110.879 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.491 ' N ' ' SD ' ' A' ' 14' ' ' MET . 11.6 mt-10 -42.32 -51.79 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.12 -40.37 43.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -62.39 -60.14 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.408 ' HG ' ' CG2' ' A' ' 102' ' ' ILE . 4.3 mt -38.7 -33.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -64.77 -50.94 64.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -68.15 -29.78 68.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.405 ' CD2' HD22 ' A' ' 22' ' ' LEU . 12.6 t80 -55.58 -44.64 77.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.405 HD22 ' CD2' ' A' ' 21' ' ' PHE . 1.1 mt -78.73 -44.75 22.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.3 m -55.71 -24.99 37.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.77 -39.5 10.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -114.4 63.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.19 125.47 35.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.54 0.686 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.45 ' CG1' ' OD1' ' A' ' 79' ' ' ASP . 10.4 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.858 0.361 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.474 HD22 ' CB ' ' A' ' 84' ' ' SER . 2.2 tm? -35.77 -61.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.49 -37.5 56.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' VAL . 7.2 t80 -39.32 -32.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.355 . . . . 0.0 110.918 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.432 HD11 ' N ' ' A' ' 80' ' ' ALA . 14.4 mt -70.63 -59.82 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.566 ' CD2' HG21 ' A' ' 46' ' ' VAL . 16.7 t-160 -47.82 -46.77 31.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -63.56 -47.58 80.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.461 ' NE2' HD22 ' A' ' 76' ' ' LEU . 15.1 mt-30 -60.78 -69.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 97.7 mt -41.06 -56.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.566 HG21 ' CD2' ' A' ' 42' ' ' HIS . 18.7 t -47.97 -39.63 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -70.4 -39.29 74.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.53 -50.55 69.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.84 -49.06 8.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -46.6 -51.81 14.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.23 -47.15 55.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 55' ' ' LYS . 6.2 t -46.38 -63.88 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.8 mt -41.38 -57.97 2.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.25 -31.72 21.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.462 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 48.1 mmtt -76.44 -59.99 2.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.2 p -51.47 -37.3 48.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.13 -40.65 95.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.544 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -102.46 9.99 39.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.843 0.354 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 61.66 49.84 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 60' ' ' LEU . 5.3 mt -99.92 -27.91 13.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 35.4 m -63.65 121.52 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 63' ' ' SER . 69.2 p -123.44 158.13 31.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.197 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 62' ' ' THR . 2.5 m -34.55 -51.99 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -58.65 -52.47 65.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -39.9 -62.32 0.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.6 m-85 -55.91 -59.05 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 mt -41.01 -52.63 3.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -69.15 -37.45 78.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.4 ttt -61.23 -35.48 77.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -64.75 -43.97 91.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -70.35 -36.46 74.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -62.92 -45.64 91.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.453 HD11 ' CG2' ' A' ' 96' ' ' VAL . 3.6 pp -77.08 -46.64 22.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -48.13 -62.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -39.49 -55.78 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.461 HD22 ' NE2' ' A' ' 44' ' ' GLN . 91.8 mt -40.41 -41.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 76' ' ' LEU . 20.9 tp -35.73 -39.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.543 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.5 pp0? -45.79 -49.49 15.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.543 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 5.9 m-20 -40.99 -37.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.432 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -80.98 -58.07 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -63.78 -7.42 7.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 78' ' ' GLN . 4.3 mm-40 -80.39 -64.18 1.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.62 -57.04 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.474 ' CB ' HD22 ' A' ' 38' ' ' LEU . 13.9 t -41.1 160.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.6 OUTLIER -105.77 154.16 20.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 85' ' ' ASP . 51.7 p -37.03 -28.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ASP . 3.6 tp10 -66.06 -64.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -64.3 -33.0 74.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.453 HG12 ' CG2' ' A' ' 93' ' ' VAL . 60.5 t -65.15 -31.65 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.0 t -55.97 -44.74 78.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -61.86 -59.91 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.425 ' CG2' HG21 ' A' ' 41' ' ' ILE . 30.7 mm -54.47 -44.9 69.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.453 ' CG2' HG12 ' A' ' 89' ' ' VAL . 15.2 t -45.72 -48.08 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -52.08 -44.32 64.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 mp -62.94 -70.97 0.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.453 ' CG2' HD11 ' A' ' 73' ' ' LEU . 6.8 p -39.41 -36.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.444 ' N ' HG11 ' A' ' 96' ' ' VAL . 11.2 ttm180 -75.16 -65.42 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 101' ' ' ILE . 9.4 mttm -41.84 -53.82 3.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.4 tp -39.99 -46.54 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.2 mt -69.41 -30.58 68.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 98' ' ' LYS . 8.2 mt -78.28 -25.11 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.408 ' CG2' ' HG ' ' A' ' 18' ' ' LEU . 13.0 mt -86.31 -58.69 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.573 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 24.4 pt -52.34 -26.52 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.81 -179.895 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 6.1 ttt . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.735 0.303 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 17' ' ' ARG . 15.6 mt-10 -45.48 -59.79 2.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -37.78 -30.56 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 19' ' ' GLN . 61.2 mtp180 -74.47 -67.45 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.367 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.467 ' HG ' ' CG2' ' A' ' 102' ' ' ILE . 2.6 mt -37.11 -32.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' ARG . 67.9 mt-30 -62.59 -50.82 69.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 17' ' ' ARG . 13.4 tt0 -68.01 -29.83 68.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -57.26 -46.85 82.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mt -74.24 -43.17 58.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.3 m -57.91 -21.57 44.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.82 -19.54 15.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.558 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 23.4 m-85 -134.13 89.2 2.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.86 123.05 20.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.322 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.466 HG23 ' CZ ' ' A' ' 83' ' ' ARG . 4.3 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.444 HD22 ' CB ' ' A' ' 80' ' ' ALA . 2.0 tm? -35.92 -51.08 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.55 -39.38 94.94 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.466 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 37' ' ' VAL . 11.0 t80 -42.36 -27.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.899 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 79' ' ' ASP . 10.4 mt -75.24 -54.0 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.562 ' CD2' HG23 ' A' ' 46' ' ' VAL . 17.9 t-160 -51.78 -44.84 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -65.84 -48.02 73.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.818 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -59.35 -59.34 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' LEU . 79.6 mt -51.79 -67.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.562 HG23 ' CD2' ' A' ' 42' ' ' HIS . 12.5 t -35.61 -44.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -66.66 -42.57 86.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 45' ' ' ILE . 11.8 mt -59.14 -49.36 78.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -46.9 -46.33 21.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 5.7 mmm180 -50.69 -50.65 54.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -48.79 -55.31 11.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.3 t -41.72 -62.91 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.438 ' CD2' ' HB2' ' A' ' 18' ' ' LEU . 62.6 mt -44.15 -59.55 2.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.8 -33.1 15.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.463 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 15.1 mmmt -75.88 -62.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 p -48.63 -40.99 29.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.11 -29.4 52.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.06 0.23 14.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.4 t30 71.23 42.77 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 mt -93.95 -21.78 18.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 18.9 m -68.93 128.66 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 63' ' ' SER . 80.6 p -124.25 154.64 39.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 62' ' ' THR . 40.4 t -35.01 -45.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.46 ' HA ' ' NE ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -66.48 -52.29 47.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.437 ' C ' ' O ' ' A' ' 64' ' ' ARG . 85.3 t80 -35.04 -54.6 0.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.563 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 25.4 m-85 -60.79 -64.22 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.7 mp -35.01 -47.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 14.2 mm-40 -71.12 -39.73 71.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 66' ' ' PHE . 8.2 ttt -62.84 -55.85 22.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -44.89 -43.49 8.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 6.1 pt-20 -75.83 -32.07 59.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 32.0 mttm -66.27 -30.1 70.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.44 ' CD1' HG23 ' A' ' 96' ' ' VAL . 4.2 pp -96.54 -36.44 10.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -57.33 -54.93 41.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -48.41 -56.16 8.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 77' ' ' LEU . 91.1 mt -41.01 -40.81 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 76' ' ' LEU . 32.0 tp -35.92 -38.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.519 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.8 pp0? -45.49 -49.7 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.519 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 6.6 m-20 -40.54 -39.18 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.456 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -79.92 -58.06 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.427 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 10.1 m170 -58.78 -11.09 2.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -84.43 -69.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.466 ' CZ ' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -94.88 -53.16 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.417 ' HB3' ' CG2' ' A' ' 89' ' ' VAL . 3.9 t -50.19 155.66 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' GLU . 1.1 m-20 -107.78 153.06 23.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 85' ' ' ASP . 24.9 p -35.12 -31.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ASP . 7.1 tp10 -66.33 -65.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -62.76 -43.44 98.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.421 HG12 ' CG2' ' A' ' 93' ' ' VAL . 35.2 t -54.14 -45.57 66.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.5 t -39.7 -38.8 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -64.79 -58.06 7.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 95' ' ' LEU . 20.6 mm -60.47 -53.91 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.421 ' CG2' HG12 ' A' ' 89' ' ' VAL . 10.5 t -37.51 -42.09 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -58.98 -44.09 91.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.558 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.6 mp -64.13 -63.85 1.04 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.44 HG23 ' CD1' ' A' ' 73' ' ' LEU . 4.0 p -45.03 -36.6 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -75.8 -63.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 101' ' ' ILE . 10.1 mttm -43.64 -48.63 7.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 15.3 tp -46.39 -40.37 11.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.3 mt -75.24 -23.32 57.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 98' ' ' LYS . 6.9 mt -84.53 -21.75 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.467 ' CG2' ' HG ' ' A' ' 18' ' ' LEU . 15.4 mt -86.22 -62.88 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.563 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 21.3 pt -53.87 -34.0 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 103' ' ' ILE . 22.1 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.421 ' CE ' ' HA ' ' A' ' 103' ' ' ILE . 6.7 ttt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.746 0.308 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -47.23 -50.71 20.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.72 -41.1 12.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.0 mtt-85 -63.33 -57.57 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mt -39.68 -38.71 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -61.24 -51.33 69.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -65.62 -31.6 72.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -56.7 -45.58 81.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mt -78.09 -46.62 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.1 m -50.05 -25.91 3.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.51 -40.01 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.072 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.572 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 14.7 m-85 -112.72 76.79 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.81 124.13 29.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 111.094 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.154 0 C-N-CA 122.682 2.254 . . . . 0.0 112.388 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' PHE . 13.7 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.881 0.372 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.45 HD13 ' N ' ' A' ' 39' ' ' GLY . 2.1 tm? -36.67 -50.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.45 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -62.49 -37.66 95.05 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.414 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' VAL . 8.6 t80 -40.36 -34.13 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.461 ' CG1' ' HB2' ' A' ' 79' ' ' ASP . 14.1 mt -67.84 -60.69 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.543 ' CD2' HG21 ' A' ' 46' ' ' VAL . 18.0 t-160 -47.25 -44.24 22.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.82 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -66.23 -43.81 85.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.465 ' NE2' HD22 ' A' ' 76' ' ' LEU . 8.3 mt-30 -64.14 -63.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 48' ' ' LEU . 77.1 mt -46.03 -67.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.543 HG21 ' CD2' ' A' ' 42' ' ' HIS . 14.2 t -36.49 -45.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -65.18 -41.41 94.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 45' ' ' ILE . 16.6 mt -62.67 -51.87 65.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.09 -51.24 10.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -47.06 -53.52 12.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.2 -51.42 18.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.6 t -47.37 -55.1 9.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.8 mt -43.81 -62.7 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.13 -36.49 8.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.429 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 16.8 mmtp -69.16 -64.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.0 m -43.21 -42.8 4.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.0 -37.7 54.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -105.49 0.39 26.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 68.7 46.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.405 ' N ' HD21 ' A' ' 60' ' ' LEU . 5.9 mt -95.96 -24.95 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.429 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 18.9 m -65.34 123.98 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.155 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' SER . 44.7 p -123.88 161.28 25.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 62' ' ' THR . 22.2 p -35.1 -51.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' TYR . 5.0 tpt85 -58.61 -57.32 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 64' ' ' ARG . 61.6 t80 -35.32 -48.85 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.558 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 20.5 m-85 -69.0 -63.69 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.4 mp -35.17 -47.2 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -72.19 -51.37 21.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -47.88 -49.08 30.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -53.25 -45.3 68.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -71.16 -36.27 71.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -62.54 -41.71 99.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.453 HD13 ' CG2' ' A' ' 96' ' ' VAL . 3.8 pp -83.46 -43.16 16.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -48.87 -64.36 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -40.58 -57.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.465 HD22 ' NE2' ' A' ' 44' ' ' GLN . 83.9 mt -39.09 -40.61 0.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' A' ' 81' ' ' HIS . 32.3 tp -35.6 -41.42 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.533 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 5.1 pp0? -43.49 -48.52 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.533 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 5.2 m-20 -39.61 -38.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -82.9 -57.03 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.56 ' CE1' HD22 ' A' ' 77' ' ' LEU . 7.9 m170 -62.36 -7.95 5.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 78' ' ' GLN . 52.1 mm-40 -84.09 -62.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.15 -58.82 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.433 ' CB ' HD22 ' A' ' 38' ' ' LEU . 24.3 t -40.64 152.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 87' ' ' GLU . 8.5 t70 -97.77 157.79 15.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.0 p -40.12 -24.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 85' ' ' ASP . 2.9 mp0 -71.83 -66.34 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -63.5 -36.22 83.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.434 ' CG1' ' CD2' ' A' ' 81' ' ' HIS . 21.7 t -60.29 -38.61 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.6 t -50.61 -48.55 57.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -54.61 -62.38 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.453 ' CG2' HG21 ' A' ' 41' ' ' ILE . 20.4 mm -52.53 -48.86 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 49.9 t -42.67 -52.98 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -48.81 -45.35 40.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.572 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.8 mp -63.79 -72.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.453 ' CG2' HD13 ' A' ' 73' ' ' LEU . 6.0 p -38.58 -36.7 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -74.8 -64.51 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 101' ' ' ILE . 9.4 mttm -43.33 -51.09 6.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 31.0 tp -42.25 -46.14 4.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 12.2 mt -70.81 -27.18 63.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 98' ' ' LYS . 17.1 mt -77.45 -29.51 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.9 mt -81.02 -63.2 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.558 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 25.7 pt -51.27 -28.63 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' ARG . 5.6 ttt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.743 0.306 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -38.58 -48.18 1.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.37 -38.54 62.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' MET . 73.9 mtt-85 -64.56 -57.44 9.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.855 0.359 . . . . 0.0 110.82 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mt -39.91 -40.36 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -58.02 -54.38 47.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -65.1 -32.55 74.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -54.83 -44.35 73.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mt -78.02 -47.86 17.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.6 m -50.5 -26.1 4.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.39 -35.11 11.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.568 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 19.4 m-85 -114.3 69.31 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -110.76 121.87 39.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.176 0 C-N-CA 122.727 2.285 . . . . 0.0 112.283 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 40' ' ' PHE . 4.8 t . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.879 0.371 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' VAL . 1.5 tm? -35.7 -58.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 41' ' ' ILE . . . -56.1 -35.43 64.51 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.547 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 37' ' ' VAL . 6.1 t80 -40.74 -26.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.328 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' GLY . 10.1 mt -79.34 -55.17 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.549 ' CD2' HG23 ' A' ' 46' ' ' VAL . 21.0 t-160 -49.57 -50.07 43.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -62.29 -49.34 76.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 40' ' ' PHE . 15.0 mt-30 -56.73 -64.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.0 mt -48.23 -59.27 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.549 HG23 ' CD2' ' A' ' 42' ' ' HIS . 55.4 t -41.76 -35.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -75.23 -40.37 59.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.2 mt -60.45 -46.94 88.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.1 -52.86 23.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -47.26 -52.86 14.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -46.61 -48.22 19.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 55' ' ' LYS . 4.1 t -51.12 -62.58 1.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' CYS . 18.3 mt -36.48 -59.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.92 -38.56 61.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.472 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 21.3 mmtm -64.83 -60.86 2.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.0 m -49.38 -42.24 41.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.26 -37.41 59.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -107.22 10.14 29.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.0 m120 60.37 52.69 4.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.0 mt -103.41 -27.84 12.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 18.1 m -61.58 108.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 63' ' ' SER . 35.2 p -115.54 164.37 14.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 62' ' ' THR . 14.4 t -34.45 -62.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -49.02 -49.1 42.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.447 ' CZ ' ' HG3' ' A' ' 55' ' ' LYS . 35.7 t80 -43.49 -58.43 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.564 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.8 m-85 -63.79 -60.81 2.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' PHE . 14.1 mt -37.56 -53.33 1.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.48 -37.71 74.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -58.48 -37.98 76.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -69.68 -44.59 70.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -71.4 -26.59 62.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -72.97 -38.82 66.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 74' ' ' GLU . 3.8 pp -86.44 -46.65 10.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.471 ' N ' HD12 ' A' ' 73' ' ' LEU . 16.4 mt-10 -44.04 -61.11 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -44.23 -53.96 6.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 77' ' ' LEU . 85.8 mt -42.19 -40.39 2.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 76' ' ' LEU . 30.9 tp -35.97 -35.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.522 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.5 pp0? -49.24 -49.69 42.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.522 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 9.0 m-20 -41.02 -34.77 0.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.837 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.97 -59.7 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.425 ' CD2' ' CG1' ' A' ' 89' ' ' VAL . 8.0 m170 -60.82 -8.9 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' GLN . 11.1 mm-40 -82.84 -68.18 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.02 -51.7 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.4 ' CB ' HD21 ' A' ' 38' ' ' LEU . 4.7 t -45.94 152.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 87' ' ' GLU . 27.1 t0 -99.65 154.29 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.486 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 16.2 m -38.59 -26.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 85' ' ' ASP . 28.4 tt0 -69.39 -66.05 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.55 -37.52 87.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.425 ' CG1' ' CD2' ' A' ' 81' ' ' HIS . 17.9 t -58.3 -35.99 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.5 t -53.64 -47.81 69.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -55.16 -59.84 4.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.9 mm -56.09 -53.38 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.6 t -37.8 -46.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -53.84 -46.41 71.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.568 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.5 mp -62.83 -72.49 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 95' ' ' LEU . 5.3 p -36.36 -36.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -76.07 -66.69 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 101' ' ' ILE . 8.7 mttm -41.77 -49.86 4.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.6 tp -42.51 -47.61 5.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.58 -25.38 63.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 98' ' ' LYS . 6.7 mt -82.26 -18.99 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.8 mt -92.93 -63.17 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.564 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 28.9 pt -48.6 -26.29 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.882 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.46 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.761 0.315 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.46 ' N ' ' SD ' ' A' ' 14' ' ' MET . 20.5 mt-10 -37.38 -60.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.47 -40.91 3.9 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.431 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 18' ' ' LEU . 59.6 mtt-85 -64.12 -60.77 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.87 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 17' ' ' ARG . 9.5 mt -36.14 -38.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -60.52 -51.91 67.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 17' ' ' ARG . 8.9 tt0 -62.87 -30.1 71.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -61.04 -45.21 95.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.406 HD21 ' CB ' ' A' ' 49' ' ' ALA . 1.5 mt -75.94 -42.25 49.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.1 m -55.43 -22.28 19.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.55 -35.63 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.544 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 17.6 m-85 -118.2 92.54 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.76 129.85 23.48 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.136 0 C-N-CA 122.711 2.274 . . . . 0.0 112.314 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' PHE . 9.6 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.78 0.324 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 37' ' ' VAL . 2.2 tm? -35.95 -53.25 0.76 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.77 -37.87 93.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.491 ' CD2' ' NE2' ' A' ' 44' ' ' GLN . 22.7 t80 -40.03 -29.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 110.878 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 79' ' ' ASP . 8.1 mt -74.94 -53.94 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.479 ' CD2' HG21 ' A' ' 46' ' ' VAL . 16.1 t-160 -51.67 -43.66 62.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -68.39 -43.07 78.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.491 ' NE2' ' CD2' ' A' ' 40' ' ' PHE . 14.2 mt-30 -65.03 -64.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.456 HD11 ' CG2' ' A' ' 41' ' ' ILE . 89.1 mt -45.56 -59.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.479 HG21 ' CD2' ' A' ' 42' ' ' HIS . 15.1 t -43.69 -41.23 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.71 -44.77 76.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.2 mt -60.64 -34.82 74.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.406 ' CB ' HD21 ' A' ' 22' ' ' LEU . . . -60.48 -49.45 77.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -50.83 -50.02 57.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -51.31 -47.92 62.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.8 t -50.59 -48.14 57.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.4 mt -50.8 -62.62 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.19 -34.77 6.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.429 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 17.4 mmtp -69.24 -56.59 7.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.45 ' HB3' ' CG ' ' A' ' 15' ' ' GLU . 3.5 m -50.11 -41.55 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.435 ' N ' ' OE2' ' A' ' 15' ' ' GLU . . . -55.53 -41.2 80.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.416 ' HB2' ' CD2' ' A' ' 60' ' ' LEU . 3.3 mt-10 -99.13 -2.29 37.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 110.883 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 69.42 50.17 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.416 ' CD2' ' HB2' ' A' ' 58' ' ' GLU . 5.0 mt -99.47 -22.42 15.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.429 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 28.7 m -68.29 116.59 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 63' ' ' SER . 73.6 p -122.31 164.7 17.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.147 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 62' ' ' THR . 44.3 t -34.91 -51.83 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 65' ' ' TYR . 9.9 tpt180 -60.26 -57.39 12.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.421 ' C ' ' O ' ' A' ' 64' ' ' ARG . 29.0 t80 -35.9 -56.07 0.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.46 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 22.7 m-85 -59.88 -59.23 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PHE . 3.5 mt -37.3 -60.83 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -57.04 -50.83 71.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -49.55 -34.91 18.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -70.02 -45.79 66.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.95 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -70.04 -27.09 64.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -75.2 -38.66 60.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 74' ' ' GLU . 4.3 pp -84.84 -34.3 22.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.419 ' N ' HD12 ' A' ' 73' ' ' LEU . 12.3 mt-10 -58.92 -56.96 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -48.75 -55.13 12.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 77' ' ' LEU . 95.7 mt -41.94 -39.97 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.464 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 32.3 tp -36.28 -39.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.541 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 5.2 pp0? -44.34 -48.2 9.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.541 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 5.4 m-20 -39.7 -39.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.456 ' CB ' HG11 ' A' ' 89' ' ' VAL . . . -84.43 -55.89 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.105 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.464 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 10.8 m170 -60.45 -9.43 3.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 78' ' ' GLN . 12.2 mt-10 -86.29 -63.04 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -101.2 -65.64 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 83' ' ' ARG . 8.8 t -35.67 148.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 87' ' ' GLU . 10.7 m-20 -95.47 152.47 18.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 85' ' ' ASP . 13.6 t -32.48 -35.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -64.83 -66.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.429 ' CB ' ' OG ' ' A' ' 84' ' ' SER . 17.1 mp0 -59.86 -38.74 83.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.456 HG11 ' CB ' ' A' ' 80' ' ' ALA . 6.5 t -64.38 -35.86 75.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.6 m -55.81 -25.95 44.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -76.1 -54.02 7.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.6 mm -62.31 -48.64 87.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.7 t -39.86 -41.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -57.96 -45.59 86.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.544 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.6 mp -61.88 -68.85 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.6 p -41.22 -36.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -73.58 -61.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 101' ' ' ILE . 12.5 mttm -45.07 -53.61 7.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.6 tp -40.78 -41.26 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.4 HD22 ' CD2' ' A' ' 73' ' ' LEU . 34.6 mt -73.59 -31.23 63.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.49 ' N ' ' O ' ' A' ' 98' ' ' LYS . 8.6 mt -77.95 -20.78 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.5 mt -90.49 -58.4 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.46 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 12.4 pt -57.25 -29.08 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.877 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' GLU . 6.0 ttt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.765 0.317 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' MET . 43.4 mt-10 -38.31 -59.31 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -40.78 -37.35 1.3 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -67.69 -60.73 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.825 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mt -40.43 -33.08 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -64.08 -49.61 71.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -64.75 -30.05 71.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -60.58 -49.29 78.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.402 HD23 ' CB ' ' A' ' 49' ' ' ALA . 1.7 mt -72.8 -43.58 62.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.0 m -56.26 -21.6 24.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.35 -28.32 12.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.566 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 20.9 m-85 -122.48 87.5 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.19 127.68 21.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 111.076 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 180.0 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.413 HG13 ' CG ' ' A' ' 79' ' ' ASP . 2.3 t . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.832 0.349 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.459 ' CD2' ' HB2' ' A' ' 80' ' ' ALA . 1.7 tm? -45.08 -42.77 8.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.15 -29.12 72.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -54.63 -24.43 21.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.469 HD12 ' N ' ' A' ' 80' ' ' ALA . 7.1 mt -75.23 -49.96 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.559 ' CD2' HG22 ' A' ' 46' ' ' VAL . 16.5 t-160 -53.66 -49.65 67.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -60.73 -44.17 96.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -62.13 -58.92 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' LEU . 63.7 mt -52.58 -61.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.559 HG22 ' CD2' ' A' ' 42' ' ' HIS . 22.0 t -41.33 -35.35 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.29 -36.95 53.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.5 mt -64.64 -45.43 86.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.402 ' CB ' HD23 ' A' ' 22' ' ' LEU . . . -51.95 -47.22 64.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.072 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 43.1 mtp85 -50.17 -50.52 48.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -49.17 -46.87 46.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.5 t -52.19 -49.35 64.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.5 mt -54.06 -56.45 17.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.7 -37.52 63.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.459 ' HE2' ' CE1' ' A' ' 65' ' ' TYR . 26.0 mmtm -66.62 -62.73 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.2 t -49.52 -42.77 44.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -52.43 -24.44 16.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -119.83 -0.61 10.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 t30 73.57 39.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 mt -90.97 -24.47 20.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 21.0 m -68.35 121.68 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.145 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 63' ' ' SER . 62.1 p -120.25 156.73 30.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 62' ' ' THR . 32.0 t -36.19 -44.02 0.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 65' ' ' TYR . 11.5 tpp180 -68.72 -51.86 36.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.459 ' CE1' ' HE2' ' A' ' 55' ' ' LYS . 86.3 t80 -35.54 -53.89 0.68 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 69' ' ' MET . 23.5 m-85 -61.09 -60.05 4.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.45 ' N ' HD22 ' A' ' 67' ' ' LEU . 3.5 mm? -34.32 -54.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -66.18 -37.53 85.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 66' ' ' PHE . 19.8 ttt -63.28 -33.54 75.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -68.57 -32.91 73.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -84.26 -26.74 28.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -73.48 -29.05 62.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.0 pp -94.39 -42.24 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.967 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -55.27 -57.1 13.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -45.68 -55.34 6.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 77' ' ' LEU . 95.9 mt -42.58 -41.42 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.503 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 26.4 tp -35.78 -35.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.474 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.2 pp0? -47.49 -52.14 18.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.474 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 9.9 m-20 -43.51 -29.53 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.469 ' N ' HD12 ' A' ' 41' ' ' ILE . . . -88.75 -55.42 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.083 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.503 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 13.1 m170 -62.65 -7.78 5.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -86.0 -61.48 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.485 ' O ' ' C ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -102.16 -73.39 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 83' ' ' ARG . 5.1 p -31.11 144.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.6 OUTLIER -94.69 158.43 15.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 85' ' ' ASP . 40.8 t -36.24 -28.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 85' ' ' ASP . 3.0 tp10 -71.16 -60.73 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -65.54 -29.26 69.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 90' ' ' SER . 15.7 t -65.17 -48.43 83.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.161 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 89' ' ' VAL . 8.6 t -36.93 -48.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -52.58 -66.98 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 93' ' ' VAL . 5.4 mm -54.7 -57.97 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 92' ' ' ILE . 7.7 t -35.79 -51.05 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.062 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -51.43 -47.19 63.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.1 mp -63.7 -70.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 95' ' ' LEU . 3.0 p -36.1 -37.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.7 ttm-85 -77.85 -61.79 1.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 101' ' ' ILE . 27.4 mttp -44.07 -48.89 8.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.4 tp -45.02 -44.99 10.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.2 mt -71.17 -24.2 62.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 98' ' ' LYS . 10.0 mt -80.67 -19.25 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.6 mt -93.87 -63.05 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 6.2 pt -50.35 -30.8 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.161 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.887 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.8 ttp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.767 0.318 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -44.64 -57.39 3.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.59 -40.52 11.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -63.35 -55.74 22.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.413 ' HG ' ' CG2' ' A' ' 102' ' ' ILE . 3.9 mt -46.89 -32.34 3.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -63.9 -56.85 12.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -59.72 -31.47 69.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -55.98 -46.77 78.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mt -75.31 -46.35 33.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.0 m -52.21 -23.29 5.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.46 -30.68 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.429 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 19.2 m-85 -123.09 100.65 6.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -149.17 138.22 12.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.554 0.692 . . . . 0.0 111.102 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.301 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.415 HG12 ' CG ' ' A' ' 79' ' ' ASP . 4.5 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.879 0.371 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.408 HD23 ' CB ' ' A' ' 84' ' ' SER . 2.3 tm? -39.96 -47.39 2.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' ILE . . . -64.48 -39.63 97.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.446 ' CD2' ' NE2' ' A' ' 44' ' ' GLN . 40.5 t80 -40.6 -24.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.475 HD13 ' N ' ' A' ' 80' ' ' ALA . 6.4 mt -81.44 -49.78 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.463 ' CD2' HG23 ' A' ' 46' ' ' VAL . 13.0 t-160 -55.79 -47.88 76.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -62.47 -46.33 88.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.446 ' NE2' ' CD2' ' A' ' 40' ' ' PHE . 14.7 mt-30 -59.36 -66.78 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' LEU . 96.6 mt -45.26 -67.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.463 HG23 ' CD2' ' A' ' 42' ' ' HIS . 17.5 t -37.21 -38.85 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -74.01 -39.99 63.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 45' ' ' ILE . 13.2 mt -61.92 -52.36 64.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.16 -47.02 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.058 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.4 mtp85 -48.05 -51.0 26.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.08 -48.91 43.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 t -51.23 -47.77 62.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.4 mt -53.22 -59.54 4.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.04 -35.77 59.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.44 ' CB ' HG12 ' A' ' 61' ' ' VAL . 25.6 mmtm -69.63 -67.37 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.3 t -44.69 -40.22 5.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.05 -35.23 53.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.448 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -111.08 8.43 21.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 65.32 46.22 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mt -96.86 -21.06 17.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.44 HG12 ' CB ' ' A' ' 55' ' ' LYS . 26.5 m -73.75 128.12 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' SER . 43.8 p -129.34 165.87 20.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 62' ' ' THR . 13.2 t -36.72 -58.61 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 65' ' ' TYR . 7.9 tpt180 -53.61 -56.89 13.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.435 ' C ' ' O ' ' A' ' 64' ' ' ARG . 85.1 t80 -35.01 -52.2 0.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.478 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 23.6 m-85 -67.86 -61.04 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.6 mp -34.75 -49.67 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -72.59 -52.87 13.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.6 ttt -44.71 -41.32 6.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -61.53 -45.84 92.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -72.52 -26.43 61.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -73.36 -35.83 66.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.436 ' CD1' HG23 ' A' ' 96' ' ' VAL . 4.3 pp -90.41 -36.98 14.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -56.52 -61.37 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -41.81 -52.4 4.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 77' ' ' LEU . 71.0 mt -43.48 -43.69 5.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.459 ' CD1' HG11 ' A' ' 96' ' ' VAL . 17.4 tp -36.14 -34.3 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.534 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 5.0 pp0? -48.13 -51.17 25.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.534 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 4.8 m-20 -40.44 -38.7 0.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.475 ' N ' HD13 ' A' ' 41' ' ' ILE . . . -78.66 -58.79 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -61.34 -8.18 3.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' GLN . 2.8 mm-40 -85.6 -54.28 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -112.8 -63.59 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 83' ' ' ARG . 23.1 t -37.18 155.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 87' ' ' GLU . 23.7 m-20 -102.85 152.48 21.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.7 p -38.59 -26.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 85' ' ' ASP . 7.4 pt-20 -69.32 -56.91 6.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.407 ' H ' ' CG ' ' A' ' 87' ' ' GLU . 17.9 mm-40 -73.48 -30.45 63.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.446 HG12 ' CG2' ' A' ' 93' ' ' VAL . 16.2 t -59.25 -48.22 87.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 89' ' ' VAL . 18.5 t -37.21 -50.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.804 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -52.57 -67.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 93' ' ' VAL . 4.7 mm -52.83 -57.09 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.446 ' CG2' HG12 ' A' ' 89' ' ' VAL . 4.1 t -36.18 -49.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -53.42 -48.17 68.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.429 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.5 mp -59.17 -69.2 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.459 HG11 ' CD1' ' A' ' 77' ' ' LEU . 2.7 p -39.54 -38.44 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.443 ' CG ' HD12 ' A' ' 101' ' ' ILE . 4.7 ttt180 -73.07 -66.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 101' ' ' ILE . 12.9 mttm -40.18 -54.47 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.9 tp -40.09 -45.43 1.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.8 mt -71.0 -32.4 69.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 98' ' ' LYS . 3.0 mt -73.94 -23.44 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.413 ' CG2' ' HG ' ' A' ' 18' ' ' LEU . 12.8 mt -87.89 -60.85 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.478 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 6.2 pt -53.59 -27.55 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.9 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.857 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.8 ttt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.752 0.31 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -46.48 -48.56 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.05 -29.44 35.64 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -72.43 -61.27 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mt -37.49 -34.93 0.11 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -62.86 -55.69 24.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -61.61 -31.57 71.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -56.47 -47.25 79.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.83 -47.12 26.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.5 m -49.75 -23.25 1.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.81 -32.9 10.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.57 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 17.4 m-85 -113.66 71.56 0.75 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.3 120.5 36.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.858 0.361 . . . . 0.0 111.12 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.471 ' C ' ' CD1' ' A' ' 38' ' ' LEU . 2.4 tm? -37.1 -54.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.78 -36.53 55.3 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 37' ' ' VAL . 4.9 t80 -45.34 -31.59 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.471 HD13 ' N ' ' A' ' 80' ' ' ALA . 12.2 mt -74.5 -57.12 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -48.14 -48.99 33.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -63.26 -47.55 81.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -57.12 -60.25 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 84.5 mt -50.83 -64.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.2 t -40.73 -41.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -68.91 -42.42 76.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.7 mt -60.75 -55.15 36.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.966 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.2 -49.17 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 -47.84 -51.47 22.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.76 -43.94 38.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.9 t -51.52 -62.35 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.3 mt -43.82 -58.9 2.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.52 -26.6 5.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.157 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.472 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 25.1 mmtm -84.44 -61.55 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.7 t -48.23 -34.89 10.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.48 -35.76 89.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -108.03 5.54 26.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 66.82 47.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mt -100.17 -12.5 19.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 35.5 m -82.67 122.47 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 63' ' ' SER . 68.0 p -123.39 162.87 21.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 62' ' ' THR . 4.5 t -34.64 -57.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' TYR . 17.3 tpp180 -54.1 -55.96 22.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 64' ' ' ARG . 76.3 t80 -35.36 -61.65 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.462 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 23.2 m-85 -56.48 -64.09 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.6 mp -34.47 -53.57 0.52 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.41 -40.85 89.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 66' ' ' PHE . 13.7 ttt -57.84 -43.82 86.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -59.74 -63.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -52.18 -30.05 25.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -68.64 -59.35 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.484 HD13 ' N ' ' A' ' 74' ' ' GLU . 2.2 pp -66.78 -53.96 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.484 ' N ' HD13 ' A' ' 73' ' ' LEU . 26.5 mt-10 -43.06 -57.27 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -43.88 -54.81 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 77' ' ' LEU . 71.7 mt -40.76 -39.14 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.543 HD23 ' CE1' ' A' ' 81' ' ' HIS . 34.4 tp -35.88 -37.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.446 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.1 pp0? -46.08 -48.96 16.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.46 ' HB2' ' CD1' ' A' ' 41' ' ' ILE . 8.7 m-20 -45.26 -40.84 7.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.471 ' N ' HD13 ' A' ' 41' ' ' ILE . . . -77.94 -55.75 5.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.543 ' CE1' HD23 ' A' ' 77' ' ' LEU . 13.7 m170 -60.7 -9.18 3.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -87.55 -67.81 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -95.28 -68.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.464 ' CB ' HD21 ' A' ' 38' ' ' LEU . 41.1 t -33.15 141.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' GLU . 19.0 t70 -89.17 152.86 21.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 85' ' ' ASP . 87.1 p -36.36 -30.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ASP . 4.4 tm-20 -65.09 -60.46 3.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -68.47 -42.72 78.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.494 HG13 ' CD2' ' A' ' 81' ' ' HIS . 58.6 t -53.21 -47.22 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -42.89 -42.68 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -59.9 -68.89 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.0 mm -47.74 -49.41 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.2 t -41.46 -47.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -53.6 -46.17 70.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.57 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.3 mp -63.34 -70.34 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 95' ' ' LEU . 5.6 p -36.14 -37.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -77.22 -61.07 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 101' ' ' ILE . 27.5 mttp -45.38 -52.22 10.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.46 ' CD2' HD22 ' A' ' 73' ' ' LEU . 14.8 tp -44.89 -36.5 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.6 mt -78.02 -27.51 48.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' LYS . 12.3 mt -79.65 -16.63 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.5 mt -95.99 -62.69 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.462 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 16.0 pt -48.75 -29.7 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.931 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -56.79 176.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.918 0.39 . . . . 0.0 110.823 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 p -105.34 45.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.818 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.29 79.81 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 p -104.25 175.06 5.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -96.19 41.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.47 148.8 0.65 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HB2' ' CB ' ' A' ' 12' ' ' ALA . 53.9 Cg_endo -69.73 138.65 38.43 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -107.43 -66.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.81 135.76 34.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.7 m 62.35 27.36 16.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.409 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . . . -65.74 -57.7 7.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -38.67 -47.17 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.9 ttp -61.96 -49.19 77.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -45.37 -58.23 3.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.99 -37.03 0.93 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.8 mtp85 -64.49 -60.69 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.453 ' HG ' ' CG2' ' A' ' 102' ' ' ILE . 3.1 mt -44.51 -31.92 1.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -63.95 -47.73 79.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -68.53 -28.75 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -57.81 -47.6 82.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.98 -43.97 50.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.438 ' O ' ' CZ ' ' A' ' 30' ' ' ARG . 26.9 m -54.27 -22.28 11.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.75 -28.89 12.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.569 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 21.2 m-85 -123.75 92.84 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.63 125.17 22.21 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.572 0.701 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 123.53 10.19 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.2 -52.03 2.93 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.38 -25.6 6.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.76 0.314 . . . . 0.0 111.101 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.438 ' CZ ' ' O ' ' A' ' 23' ' ' THR . 22.4 mtt-85 -131.02 -74.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.571 HD13 ' CZ ' ' A' ' 91' ' ' PHE . 2.3 pt? -121.42 179.64 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -160.71 150.48 17.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' ASP . 9.8 mt -117.42 108.31 15.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -35.23 -34.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' LEU . 7.4 t0 -54.52 117.82 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.78 -68.02 1.79 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 40' ' ' PHE . 5.0 t -51.21 -67.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 111.132 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.566 ' C ' ' CD1' ' A' ' 38' ' ' LEU . 1.6 tm? -37.22 -47.06 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 41' ' ' ILE . . . -62.32 -36.41 93.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 37' ' ' VAL . 14.4 t80 -45.39 -21.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 79' ' ' ASP . 6.2 mt -82.63 -49.33 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.53 ' CD2' HG21 ' A' ' 46' ' ' VAL . 15.9 t-160 -56.83 -41.24 77.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -69.51 -44.4 71.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -63.0 -64.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' LEU . 83.8 mt -47.07 -65.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.53 HG21 ' CD2' ' A' ' 42' ' ' HIS . 39.1 t -37.28 -41.5 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -71.04 -42.69 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' ILE . 13.0 mt -58.62 -39.86 81.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.52 -52.54 63.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -44.36 -47.91 9.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.74 -49.77 64.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.1 t -49.51 -51.75 34.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.1 mt -50.62 -59.63 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.32 -32.74 50.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 43.6 mmtt -71.01 -66.14 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.4 m -46.01 -40.66 10.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.0 -34.72 52.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -111.85 9.97 20.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 63.94 44.28 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.426 ' N ' HD21 ' A' ' 60' ' ' LEU . 5.3 mt -93.93 -20.83 19.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.453 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 32.5 m -75.15 128.27 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.6 p -131.56 174.21 10.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -44.33 -59.69 2.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 65' ' ' TYR . 8.7 tpp180 -52.85 -54.1 39.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 64' ' ' ARG . 55.5 t80 -36.15 -59.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.426 ' O ' ' C ' ' A' ' 67' ' ' LEU . 21.2 m-85 -61.66 -61.95 2.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.5 mp -35.19 -49.42 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -75.36 -40.61 57.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 18.3 ttt -59.44 -27.3 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -73.36 -45.67 53.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -72.42 -24.88 61.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -73.68 -36.23 65.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.471 ' CD1' HG21 ' A' ' 96' ' ' VAL . 4.1 pp -90.34 -40.83 11.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.454 ' N ' HD13 ' A' ' 73' ' ' LEU . 17.8 mt-10 -53.7 -56.76 14.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -46.22 -51.6 14.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 78' ' ' GLN . 96.5 mt -43.54 -41.77 4.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 76' ' ' LEU . 28.3 tp -36.19 -33.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.551 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.6 pp0? -49.59 -48.9 48.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.551 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 7.5 m-20 -42.71 -37.33 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.514 ' CB ' ' CD2' ' A' ' 38' ' ' LEU . . . -80.31 -56.38 4.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.557 ' CD2' HG13 ' A' ' 89' ' ' VAL . 8.4 m170 -65.46 -7.75 15.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 78' ' ' GLN . 28.5 mm-40 -82.26 -63.19 1.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.458 ' CZ ' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -101.81 -76.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' ARG . 2.6 m -37.55 156.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 86' ' ' SER . 1.8 m-20 -98.67 158.91 15.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 85' ' ' ASP . 48.0 p -36.51 -35.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -60.39 -55.52 32.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -71.07 -36.02 72.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.557 HG13 ' CD2' ' A' ' 81' ' ' HIS . 91.6 t -66.9 -38.23 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.9 t -43.71 -45.07 6.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.571 ' CZ ' HD13 ' A' ' 31' ' ' LEU . 27.2 t80 -59.37 -54.3 48.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.45 ' CG1' HD21 ' A' ' 38' ' ' LEU . 7.3 mm -59.88 -55.95 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.446 ' HA ' ' CG1' ' A' ' 96' ' ' VAL . 15.4 t -35.89 -53.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -47.53 -42.24 22.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.569 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.6 mp -67.96 -69.07 0.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.471 HG21 ' CD1' ' A' ' 73' ' ' LEU . 2.7 p -39.13 -41.11 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -75.83 -59.29 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -43.39 -51.64 6.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 40.9 tp -47.08 -41.14 16.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.7 mt -71.66 -26.41 62.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 16.7 mt -77.46 -22.62 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.453 ' CG2' ' HG ' ' A' ' 18' ' ' LEU . 9.8 mt -88.57 -58.61 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.118 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.2 pt -56.05 -32.55 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 105' ' ' ARG . 54.2 p -40.76 114.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.523 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 4.7 ttt180 -37.74 -58.18 1.4 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 110.839 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.8 Cg_endo -69.74 84.65 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.68 2.253 . . . . 0.0 112.376 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -140.18 107.34 5.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -160.91 170.99 19.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.4 p -140.34 155.95 46.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 145.6 -94.93 0.17 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -49.81 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.692 2.261 . . . . 0.0 112.356 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.8 p -174.57 163.61 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.4 t -112.68 113.63 25.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.9 p -148.99 177.64 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.834 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -110.7 91.18 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.29 -173.23 51.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -106.3 136.34 46.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 110.88 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.2 m -157.79 156.69 31.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.8 144.71 30.38 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.529 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 178.21 4.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -129.7 -61.02 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.51 -44.17 6.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.122 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 12' ' ' ALA . 10.6 p -46.09 -52.5 11.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 11' ' ' THR . . . -33.8 -61.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -57.8 -42.85 85.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 0.7 OUTLIER -57.66 -58.67 7.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.494 ' N ' ' SD ' ' A' ' 14' ' ' MET . 25.3 mt-10 -37.72 -61.8 0.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.27 -36.06 1.99 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' GLU . 66.3 mtp180 -65.95 -69.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 0.0 110.822 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.473 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 3.5 mt -36.04 -38.77 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -59.71 -47.57 85.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' ARG . 15.9 tt0 -73.82 -27.95 61.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.433 ' CE2' HD23 ' A' ' 22' ' ' LEU . 7.1 t80 -56.1 -39.86 72.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.433 HD23 ' CE2' ' A' ' 21' ' ' PHE . 1.0 OUTLIER -81.03 -43.57 19.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 51.2 m -53.73 -24.4 14.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.05 -31.6 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.573 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 20.3 m-85 -117.41 75.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.965 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.459 ' CB ' ' HB1' ' A' ' 29' ' ' ALA . . . -115.16 128.93 25.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 111.103 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 121.15 7.84 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.625 2.216 . . . . 0.0 112.362 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 29' ' ' ALA . . . 79.65 -39.01 2.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.459 ' HB1' ' CB ' ' A' ' 26' ' ' ALA . . . -32.69 -67.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.345 . . . . 0.0 111.087 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.41 ' CD ' HD23 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -127.7 -24.02 3.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.572 HD13 ' CZ ' ' A' ' 91' ' ' PHE . 1.4 pt? -132.91 174.42 10.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -171.27 168.5 6.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 mt -131.19 117.66 19.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.2 28.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -84.55 -29.89 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.86 -115.24 5.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.49 ' CG1' ' OD1' ' A' ' 79' ' ' ASP . 9.3 t -40.5 -49.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 111.113 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 80' ' ' ALA . 1.8 tm? -43.42 -56.71 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' ILE . . . -56.61 -39.58 85.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 39' ' ' GLY . 11.6 t80 -36.8 -31.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.913 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 39' ' ' GLY . 14.5 mt -73.36 -58.28 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.573 ' CD2' HG21 ' A' ' 46' ' ' VAL . 9.2 t-160 -48.28 -50.75 28.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -58.92 -48.85 80.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.463 ' NE2' HD21 ' A' ' 76' ' ' LEU . 12.7 mt-30 -57.66 -62.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 84.1 mt -47.89 -59.25 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.573 HG21 ' CD2' ' A' ' 42' ' ' HIS . 13.6 t -39.68 -42.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.75 -47.27 72.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . 11.5 mt -56.69 -59.53 4.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 48' ' ' LEU . . . -37.35 -50.65 1.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -47.02 -52.51 14.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -49.05 -54.05 17.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.0 t -42.47 -59.31 1.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 18' ' ' LEU . 49.6 mt -45.27 -59.54 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.79 -33.19 15.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.454 ' CB ' HG12 ' A' ' 61' ' ' VAL . 24.4 mmtm -72.83 -64.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 87.4 p -42.25 -37.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.52 -39.77 75.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -106.11 1.55 26.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.419 ' C ' HD22 ' A' ' 60' ' ' LEU . 14.9 m120 71.04 51.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.419 HD22 ' C ' ' A' ' 59' ' ' ASN . 5.1 mt -107.2 6.23 28.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.57 HG11 ' CD2' ' A' ' 65' ' ' TYR . 3.3 m -105.15 115.54 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' SER . 71.0 p -122.26 169.15 11.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.17 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 62' ' ' THR . 2.6 t -34.79 -58.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -51.61 -59.28 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.57 ' CD2' HG11 ' A' ' 61' ' ' VAL . 48.9 t80 -38.48 -44.86 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.57 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.9 m-85 -71.24 -62.88 1.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 mp -38.5 -52.17 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -66.47 -39.62 88.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.7 ttt -61.47 -36.29 80.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -66.03 -42.03 90.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.65 -36.1 73.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -63.25 -42.74 99.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.471 HD11 ' N ' ' A' ' 74' ' ' GLU . 4.1 pp -81.63 -43.99 17.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.471 ' N ' HD11 ' A' ' 73' ' ' LEU . 13.5 mt-10 -48.97 -62.24 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -42.08 -56.37 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.463 HD21 ' NE2' ' A' ' 44' ' ' GLN . 93.5 mt -42.03 -41.71 2.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.549 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 30.6 tp -36.09 -38.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.954 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.542 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 5.2 pp0? -45.84 -48.35 15.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.542 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 5.7 m-20 -41.06 -39.57 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.46 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . . . -80.67 -57.09 3.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.549 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 9.4 m170 -58.35 -11.17 2.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -83.0 -66.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.62 -56.13 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.423 ' OG ' ' CB ' ' A' ' 88' ' ' GLU . 16.6 t -44.94 146.37 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.823 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 87' ' ' GLU . 1.4 m-20 -102.09 154.43 18.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 85' ' ' ASP . 85.6 p -33.73 -34.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.9 pm0 -63.51 -50.79 68.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' ASP . 47.7 mt-10 -79.57 -46.35 17.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 22.0 t -49.9 -30.89 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.3 t -56.36 -38.71 71.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.572 ' CZ ' HD13 ' A' ' 31' ' ' LEU . 23.9 t80 -62.79 -60.25 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 42' ' ' HIS . 19.4 mm -59.14 -55.13 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' ILE . 16.0 t -35.91 -49.94 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -52.26 -47.89 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.573 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.6 mp -62.83 -71.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.439 HG12 ' CD1' ' A' ' 77' ' ' LEU . 6.3 p -36.11 -36.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.421 ' CG ' HD11 ' A' ' 101' ' ' ILE . 8.3 ttt180 -77.48 -64.29 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 101' ' ' ILE . 25.4 mttp -41.23 -52.04 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.3 tp -43.57 -43.72 5.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.412 HD22 ' CD1' ' A' ' 73' ' ' LEU . 15.2 mt -72.64 -25.45 61.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' LYS . 11.3 mt -81.86 -19.33 10.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.415 ' HA ' ' NH1' ' A' ' 17' ' ' ARG . 17.2 mt -91.15 -63.12 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.57 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 32.4 pt -47.66 -35.15 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.9 m -45.31 113.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.543 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 4.7 ttt180 -46.6 -56.84 10.15 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.622 0.725 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.9 Cg_endo -69.76 88.23 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.745 2.297 . . . . 0.0 112.297 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -141.12 115.09 9.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -119.36 -15.1 9.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.6 m -134.77 -53.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 138.08 -100.9 0.31 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 1.87 4.01 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.342 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.7 t 74.59 50.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.5 t -89.79 -33.69 16.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.49 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 m 59.1 43.24 17.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 0.0 110.838 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 m -126.86 95.77 4.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.84 41.51 0.27 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t -64.78 91.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.889 0.376 . . . . 0.0 110.889 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -109.01 -45.94 3.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.9 72.33 1.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.526 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 178.06 4.95 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.656 2.237 . . . . 0.0 112.375 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -131.01 -57.97 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.19 -46.07 4.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.124 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 12' ' ' ALA . 2.7 p -46.17 -45.49 16.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 11' ' ' THR . . . -34.74 -58.57 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -61.31 -41.25 96.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.7 ttt -57.22 -54.87 41.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -47.66 -57.17 5.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.44 -35.22 3.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.546 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 20' ' ' GLU . 55.7 mtp85 -68.34 -64.05 0.94 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.868 0.366 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' ARG . 5.5 mt -36.85 -40.32 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.449 ' OE1' ' CD1' ' A' ' 53' ' ' LEU . 13.0 mm-40 -61.07 -46.32 91.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 17' ' ' ARG . 15.1 tt0 -70.43 -29.37 65.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -56.74 -44.01 81.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.02 -43.09 35.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.9 m -53.48 -24.43 13.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.61 -31.19 11.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.578 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 19.7 m-85 -116.8 77.93 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -121.4 126.95 26.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 111.134 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 107.9 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.385 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.04 -28.66 13.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.5 -71.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.75 -6.43 5.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.817 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.481 HD13 ' CE2' ' A' ' 91' ' ' PHE . 1.3 pt? -143.71 177.69 8.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.94 126.77 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 34' ' ' ALA . 56.0 mt -93.16 86.34 5.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.94 -44.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' ALA . 20.8 t0 -36.98 131.68 0.73 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.67 -93.73 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 40' ' ' PHE . 5.0 t -38.45 -65.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 37' ' ' VAL . 1.8 tm? -35.93 -57.92 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.415 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -53.41 -37.36 55.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.53 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 37' ' ' VAL . 7.9 t80 -43.28 -31.16 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.404 ' CG1' ' HB2' ' A' ' 79' ' ' ASP . 13.1 mt -71.49 -57.47 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.474 ' CD2' HG22 ' A' ' 46' ' ' VAL . 18.9 t-160 -48.48 -49.9 33.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -61.82 -46.38 89.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.422 ' NE2' HD22 ' A' ' 76' ' ' LEU . 18.4 mt-30 -59.02 -65.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 48' ' ' LEU . 97.2 mt -47.01 -63.6 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.474 HG22 ' CD2' ' A' ' 42' ' ' HIS . 14.3 t -40.79 -42.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -68.96 -34.06 74.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.7 mt -67.31 -58.66 4.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 48' ' ' LEU . . . -36.15 -49.34 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -46.22 -51.15 14.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.24 -52.89 24.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.5 t -41.58 -63.57 0.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.449 ' CD1' ' OE1' ' A' ' 19' ' ' GLN . 28.5 mt -46.41 -58.34 3.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.39 -26.37 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.455 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 46.2 mmtt -84.16 -62.97 1.43 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.7 t -46.35 -37.75 7.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.27 -36.01 73.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -108.48 5.45 25.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.6 t30 66.87 48.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.405 ' N ' HD23 ' A' ' 60' ' ' LEU . 6.3 mt -101.58 -8.29 22.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 27.9 m -86.36 128.89 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.9 p -131.18 168.76 16.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.157 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 m -39.58 -52.23 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 65' ' ' TYR . 8.0 tpt180 -58.89 -57.06 14.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 64' ' ' ARG . 67.4 t80 -34.88 -58.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -59.88 -61.9 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mt -39.24 -54.25 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.14 -40.06 86.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 18.1 ttt -59.81 -33.27 71.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -71.3 -43.56 66.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -71.59 -29.02 64.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -71.33 -38.49 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.443 HD13 ' N ' ' A' ' 74' ' ' GLU . 3.9 pp -85.3 -46.95 10.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.443 ' N ' HD13 ' A' ' 73' ' ' LEU . 16.6 mt-10 -46.93 -57.65 4.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -44.39 -53.83 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 77' ' ' LEU . 45.6 mt -41.64 -40.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 76' ' ' LEU . 31.7 tp -35.78 -39.23 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.507 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.7 pp0? -44.97 -52.15 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.507 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 7.6 m-20 -39.08 -39.88 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.74 -57.87 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.523 ' CD2' HG13 ' A' ' 89' ' ' VAL . 8.4 m170 -62.02 -8.29 5.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' GLN . 28.2 mm-40 -83.09 -56.55 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.479 ' N ' ' HD2' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -113.24 -55.47 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.415 ' OG ' ' CB ' ' A' ' 88' ' ' GLU . 10.6 t -41.21 145.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 87' ' ' GLU . 40.6 m-20 -95.03 155.7 16.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.0 p -37.88 -27.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 85' ' ' ASP . 8.4 pt-20 -69.03 -55.87 9.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.415 ' CB ' ' OG ' ' A' ' 84' ' ' SER . 7.3 mp0 -74.91 -44.6 47.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.523 HG13 ' CD2' ' A' ' 81' ' ' HIS . 12.2 t -51.42 -41.07 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.8 t -49.99 -49.28 51.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.481 ' CE2' HD13 ' A' ' 31' ' ' LEU . 37.6 t80 -52.72 -61.66 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' VAL . 13.5 mm -54.99 -55.39 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' ILE . 9.6 t -37.09 -43.78 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -56.48 -47.63 78.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.578 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.4 mp -63.99 -70.69 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.416 HG12 ' CD1' ' A' ' 77' ' ' LEU . 7.4 p -36.35 -34.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.0 ttm-85 -79.75 -59.64 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 101' ' ' ILE . 26.0 mttp -47.54 -51.49 20.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.4 tp -42.9 -40.39 2.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.2 mt -73.22 -30.61 63.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' LYS . 9.7 mt -77.47 -25.07 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.7 mt -85.62 -62.67 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 11.6 pt -48.25 -30.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.8 m -52.34 112.83 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.508 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 7.1 ttt85 -43.05 -58.67 3.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.592 0.71 . . . . 0.0 110.82 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.9 Cg_endo -69.77 105.92 1.57 Allowed 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.732 2.288 . . . . 0.0 112.375 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -140.95 137.3 32.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.6 ttm-85 -161.08 134.32 6.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 m -131.17 118.0 19.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.06 124.4 1.75 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 112' ' ' SER . 53.9 Cg_endo -69.77 97.19 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 111' ' ' PRO . 83.4 p -36.0 150.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.4 m -71.67 83.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.45 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p 42.3 42.24 2.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.829 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t -44.11 120.16 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.81 -167.27 17.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.49 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 6' ' ' SER . 17.4 m -61.51 132.21 52.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 5' ' ' SER . 89.7 p -36.13 -54.32 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.6 83.7 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 179.99 3.31 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.337 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -117.51 -24.99 7.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.937 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -51.34 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 14' ' ' MET . 0.8 OUTLIER -36.17 -30.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.185 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -34.18 -50.34 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.149 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -52.23 -46.05 65.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.4 OUTLIER -59.85 -50.47 73.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -43.95 -50.63 8.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.37 -37.51 25.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.438 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -64.46 -56.68 12.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.456 ' HG ' ' CG2' ' A' ' 102' ' ' ILE . 3.5 mt -45.43 -30.57 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -65.71 -51.08 62.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -68.39 -30.49 69.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -52.21 -47.22 65.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 mt -74.48 -45.68 44.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.44 ' O ' ' NH1' ' A' ' 30' ' ' ARG . 20.9 m -51.92 -24.12 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.48 -21.61 15.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.56 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 20.8 m-85 -130.01 76.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -119.61 129.12 25.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 112.14 3.0 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.694 2.263 . . . . 0.0 112.336 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 29' ' ' ALA . . . 102.06 -58.95 0.6 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 28' ' ' GLY . . . -33.93 -67.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.778 0.323 . . . . 0.0 111.113 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.44 ' NH1' ' O ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -104.08 -64.58 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.569 HD13 ' CZ ' ' A' ' 91' ' ' PHE . 1.5 pt? -117.54 158.09 25.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.3 128.51 17.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.468 HD12 ' CD1' ' A' ' 38' ' ' LEU . 44.6 mt -92.66 106.64 18.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.68 22.82 3.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.448 ' OD2' ' CB ' ' A' ' 38' ' ' LEU . 27.3 t0 -79.81 12.22 2.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.819 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' VAL . . . 65.17 -118.27 11.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.478 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 40' ' ' PHE . 3.3 t -36.88 -64.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 0.0 111.104 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.561 ' C ' ' CD1' ' A' ' 38' ' ' LEU . 1.4 tm? -38.81 -45.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.414 ' N ' HD11 ' A' ' 38' ' ' LEU . . . -65.6 -34.22 88.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 37' ' ' VAL . 17.6 t80 -47.39 -22.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.862 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 79' ' ' ASP . 6.8 mt -77.59 -50.41 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.562 ' CD2' HG21 ' A' ' 46' ' ' VAL . 18.4 t-160 -52.84 -52.81 55.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -58.94 -46.68 87.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -58.97 -62.12 2.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 48' ' ' LEU . 80.7 mt -50.75 -64.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.562 HG21 ' CD2' ' A' ' 42' ' ' HIS . 29.3 t -40.49 -37.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -73.07 -40.33 65.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.2 mt -63.09 -55.69 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.84 -47.67 4.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.5 mtp85 -48.38 -51.93 24.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -47.49 -52.82 16.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.1 t -42.67 -60.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.8 mt -44.95 -58.16 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.54 -28.92 22.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 47.6 mmtt -79.7 -69.38 0.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 m -40.78 -39.46 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.74 -40.97 73.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.514 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -105.47 10.88 33.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.932 0.396 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.6 m120 63.07 42.93 6.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.424 ' N ' HD23 ' A' ' 60' ' ' LEU . 5.2 mt -91.63 -24.07 19.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.442 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 31.2 m -70.42 133.68 31.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.9 p -132.54 167.33 20.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 m -41.05 -54.48 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 65' ' ' TYR . 3.7 tpp85 -57.75 -54.22 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.423 ' C ' ' O ' ' A' ' 64' ' ' ARG . 72.4 t80 -36.13 -58.06 0.68 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.562 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.2 m-85 -57.27 -63.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.6 mp -36.08 -59.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.418 ' CD ' ' OE2' ' A' ' 71' ' ' GLU . 16.5 mm-40 -60.95 -42.04 97.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.2 ttt -59.77 -32.91 71.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -68.6 -52.45 31.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.418 ' OE2' ' CD ' ' A' ' 68' ' ' GLU . 8.9 pt-20 -66.03 -29.59 69.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -68.25 -47.12 68.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 74' ' ' GLU . 3.5 pp -76.63 -47.49 22.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.951 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.453 ' N ' HD12 ' A' ' 73' ' ' LEU . 14.3 mt-10 -50.02 -56.22 11.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.9 tpp85 -44.49 -49.8 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 78' ' ' GLN . 84.1 mt -46.39 -42.03 14.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.522 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 21.9 tp -37.82 -30.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.556 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.8 pp0? -51.88 -47.98 64.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.556 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 7.0 m-20 -45.79 -35.45 4.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.454 ' N ' HD12 ' A' ' 41' ' ' ILE . . . -82.0 -58.06 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.522 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 11.5 m170 -58.93 -10.33 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -83.45 -69.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -98.88 -60.68 1.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.453 ' HB2' ' CG ' ' A' ' 38' ' ' LEU . 30.5 t -38.13 156.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 87' ' ' GLU . 5.4 m-20 -110.52 155.43 22.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 85' ' ' ASP . 11.3 p -34.22 -33.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 85' ' ' ASP . 15.9 pt-20 -63.88 -52.99 57.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' A' ' 87' ' ' GLU . 3.7 mp0 -77.37 -44.22 30.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.517 HG12 ' CD2' ' A' ' 81' ' ' HIS . 18.5 t -56.56 -26.8 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.2 t -59.4 -43.64 92.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.569 ' CZ ' HD13 ' A' ' 31' ' ' LEU . 22.0 t80 -61.64 -62.35 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.427 ' CG2' HG21 ' A' ' 41' ' ' ILE . 13.2 mm -54.33 -52.7 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.447 ' CG2' HG13 ' A' ' 89' ' ' VAL . 8.4 t -38.15 -52.04 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.073 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -49.57 -45.84 48.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.56 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 5.0 mp -63.68 -71.13 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.7 p -36.56 -35.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -78.96 -66.56 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 101' ' ' ILE . 10.6 mttm -42.46 -47.37 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.8 tp -45.7 -43.43 12.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.6 mt -74.38 -22.47 59.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 98' ' ' LYS . 5.3 mt -85.43 -19.81 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.456 ' CG2' ' HG ' ' A' ' 18' ' ' LEU . 14.3 mt -90.49 -57.06 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.562 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 27.8 pt -56.65 -29.06 28.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.0 m -60.39 112.04 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.634 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 3.9 ttm180 -42.78 -52.1 11.51 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.594 0.712 . . . . 0.0 110.834 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.5 Cg_endo -69.77 129.24 17.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.291 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -150.14 167.92 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -162.99 153.15 16.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.5 t -115.98 163.75 15.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -145.41 -157.59 7.32 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.469 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 128.16 15.61 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.394 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 113' ' ' SER . 14.5 m -83.1 -45.72 13.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 112' ' ' SER . 34.2 t -34.66 -47.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -53.93 112.08 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.93 0.395 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -69.38 82.54 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.6 -113.28 4.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -127.7 114.16 16.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -99.04 149.7 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.42 125.11 6.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 95.12 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.2 tptp -95.42 -44.75 7.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.88 -36.78 15.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' MET . 19.0 p -69.23 -60.1 2.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 11' ' ' THR . . . -32.89 -53.01 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -67.34 -40.99 85.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 11' ' ' THR . 3.6 ttt -59.64 -56.48 21.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -43.58 -45.47 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.839 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.3 -39.04 81.29 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -62.12 -56.9 14.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.351 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' HG ' ' CG2' ' A' ' 102' ' ' ILE . 5.9 mt -41.76 -37.26 1.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -60.55 -55.3 35.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -62.3 -33.09 73.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -52.47 -44.33 65.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.45 -45.73 21.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.2 m -53.74 -25.86 20.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.8 -35.46 12.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.573 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 20.1 m-85 -117.21 80.15 1.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB1' ' CB ' ' A' ' 29' ' ' ALA . . . -118.25 125.17 28.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.536 0.684 . . . . 0.0 111.079 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 91.26 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 118.78 -25.56 7.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.462 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . . . -54.02 -64.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.13 -16.28 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.557 HD13 ' CZ ' ' A' ' 91' ' ' PHE . 1.2 pt? -138.62 -179.88 6.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.02 124.0 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' ALA . 64.4 mt -91.56 83.75 5.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.69 -42.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.095 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.409 ' CG ' ' HB3' ' A' ' 38' ' ' LEU . 24.6 t0 -37.87 127.69 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' VAL . . . -64.69 -95.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.462 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 40' ' ' PHE . 12.8 t -36.96 -65.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 111.115 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.422 HD21 ' CB ' ' A' ' 84' ' ' SER . 1.9 tm? -35.84 -60.53 0.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' PHE . . . -53.88 -37.79 58.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' VAL . 11.0 t80 -38.26 -32.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.424 ' CG1' ' HB2' ' A' ' 79' ' ' ASP . 13.3 mt -71.54 -60.01 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.553 ' CD2' HG21 ' A' ' 46' ' ' VAL . 20.8 t-160 -48.18 -48.22 34.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -61.49 -44.14 97.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.418 ' NE2' HD21 ' A' ' 76' ' ' LEU . 13.5 mt-30 -64.14 -71.93 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.453 ' CG2' HD22 ' A' ' 99' ' ' LEU . 86.6 mt -38.8 -60.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.553 HG21 ' CD2' ' A' ' 42' ' ' HIS . 42.7 t -43.02 -41.14 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -71.47 -34.8 70.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.4 mt -65.23 -57.9 7.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -37.45 -47.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -46.99 -52.01 15.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -53.04 -44.19 67.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.6 t -50.85 -54.13 26.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.5 mt -50.78 -57.92 7.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.17 -32.31 35.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HE3' ' CE1' ' A' ' 65' ' ' TYR . 39.8 mmtt -71.2 -65.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.463 ' N ' HG11 ' A' ' 61' ' ' VAL . 3.8 t -50.21 -34.94 24.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.34 -35.76 91.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -109.09 11.39 25.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.392 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.1 m120 64.08 46.26 3.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mt -99.98 -24.46 14.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.463 HG11 ' N ' ' A' ' 56' ' ' SER . 23.9 m -65.96 118.68 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.6 p -122.08 159.98 25.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.9 m -37.6 -49.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -61.03 -49.79 75.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.46 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 61.6 t80 -39.68 -58.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.566 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.5 m-85 -60.49 -61.77 2.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' PHE . 3.6 mt -36.92 -58.94 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -63.42 -41.26 98.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.3 ttt -56.37 -37.81 70.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -63.64 -47.2 82.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.25 -33.2 72.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -65.3 -44.1 88.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.46 ' CD2' HD23 ' A' ' 100' ' ' LEU . 3.6 pp -80.4 -48.5 12.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -44.77 -63.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.7 tpt85 -40.14 -56.52 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 77' ' ' LEU . 78.5 mt -39.97 -40.41 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 76' ' ' LEU . 26.7 tp -35.61 -40.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.531 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.3 pp0? -45.34 -49.67 12.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.531 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 7.1 m-20 -39.63 -35.9 0.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.47 -58.31 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.404 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 7.8 m170 -61.5 -7.93 3.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 78' ' ' GLN . 18.1 mm-40 -80.44 -60.29 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.499 ' N ' ' HD2' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -114.23 -52.03 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.422 ' CB ' HD21 ' A' ' 38' ' ' LEU . 14.5 t -42.66 150.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 87' ' ' GLU . 21.5 m-20 -101.75 150.98 22.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 85' ' ' ASP . 13.6 t -37.92 -26.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 85' ' ' ASP . 9.6 pt-20 -67.79 -46.6 71.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 85' ' ' ASP . 24.5 mt-10 -86.79 -33.61 19.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.5 t -64.51 -34.83 72.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.6 t -51.54 -44.97 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.557 ' CZ ' HD13 ' A' ' 31' ' ' LEU . 32.8 t80 -61.6 -64.67 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.0 mm -49.77 -49.59 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 25.4 t -41.87 -46.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -53.36 -44.1 68.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.573 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.9 mp -64.25 -70.83 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.9 p -38.82 -37.14 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.4 ttm-85 -75.59 -64.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 101' ' ' ILE . 9.4 mttm -43.14 -51.87 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.453 HD22 ' CG2' ' A' ' 45' ' ' ILE . 23.2 tp -40.93 -49.69 3.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.46 HD23 ' CD2' ' A' ' 73' ' ' LEU . 22.9 mt -63.98 -29.71 70.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 98' ' ' LYS . 10.0 mt -78.92 -29.47 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.425 ' CG2' ' HG ' ' A' ' 18' ' ' LEU . 20.6 mt -79.93 -62.91 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.566 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 31.9 pt -47.99 -27.04 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.4 m -65.26 115.74 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.502 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 6.7 ttt180 -44.74 -58.52 5.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.552 0.692 . . . . 0.0 110.844 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.7 Cg_endo -69.77 127.51 14.69 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.665 2.243 . . . . 0.0 112.347 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -145.29 116.59 7.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 109' ' ' SER . 12.6 ttp85 -60.59 139.46 57.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 108' ' ' ARG . 28.4 t -34.89 -58.92 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.403 ' HA2' ' HD2' ' A' ' 111' ' ' PRO . . . 102.38 96.91 2.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.403 ' HD2' ' HA2' ' A' ' 110' ' ' GLY . 53.9 Cg_endo -69.74 -4.89 14.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.7 t -125.87 138.66 53.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.1 m -61.71 158.07 16.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -152.17 149.63 28.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.907 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -53.04 -57.24 11.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.3 -159.36 25.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.52 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 p -117.26 141.97 47.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.82 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -49.43 146.09 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.25 143.66 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 129.79 18.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -120.26 -60.5 1.68 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.19 -51.54 17.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.087 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -96.99 40.6 1.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.0 -61.51 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.145 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -45.23 -47.6 12.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.8 ttp -50.02 -52.22 35.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' ARG . 13.7 mm-40 -46.89 -64.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' GLU . . . -36.29 -33.32 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 15' ' ' GLU . 59.6 mtp180 -71.71 -66.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 0.0 110.86 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' ARG . 4.5 mt -37.29 -34.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -64.22 -57.21 10.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.42 -31.11 71.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -55.31 -45.22 76.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 mt -76.97 -44.83 29.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.7 m -52.82 -24.65 9.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.22 -27.86 12.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.576 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 18.4 m-30 -120.11 78.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -123.47 120.04 27.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.587 0.708 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 130.37 19.23 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.248 . . . . 0.0 112.369 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.07 -39.03 2.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -43.55 -65.16 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.719 0.295 . . . . 0.0 111.083 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.423 ' HD3' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -128.94 -27.91 2.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.497 HD11 ' CE2' ' A' ' 91' ' ' PHE . 1.2 pt? -124.0 -178.15 3.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -173.79 -178.59 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' A' ' 38' ' ' LEU . 10.0 mt -147.68 117.44 7.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' ASP . . . -88.36 -14.09 39.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' ALA . 3.2 t70 -34.93 -40.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 128.93 -136.39 9.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.443 HG13 ' NE ' ' A' ' 83' ' ' ARG . 0.5 OUTLIER -43.73 -33.72 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 111.133 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.531 ' C ' ' CD1' ' A' ' 38' ' ' LEU . 1.6 tm? -39.82 -52.76 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.473 ' N ' HD11 ' A' ' 38' ' ' LEU . . . -53.17 -33.81 46.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 37' ' ' VAL . 4.3 t80 -45.49 -32.08 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 110.882 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.471 HD13 ' N ' ' A' ' 80' ' ' ALA . 14.0 mt -74.32 -60.24 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -46.56 -44.63 18.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -66.03 -45.87 79.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -60.3 -56.67 18.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 84.2 mt -54.57 -62.67 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -45.31 -31.09 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -78.58 -36.3 44.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.2 mt -68.99 -47.75 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.67 -49.2 14.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.086 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -47.59 -53.12 15.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -49.67 -45.61 48.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.2 t -47.03 -55.37 8.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.3 mt -51.39 -60.74 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.78 -29.61 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.05 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.47 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 34.3 mmtt -76.66 -66.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.2 m -45.8 -39.66 8.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.91 -38.89 76.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -104.7 3.47 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 68.9 48.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 60' ' ' LEU . 5.8 mt -100.03 -22.01 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.47 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 29.5 m -69.2 122.34 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 63' ' ' SER . 63.2 p -122.55 158.15 30.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 62' ' ' THR . 33.7 p -34.55 -54.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.827 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 65' ' ' TYR . 0.7 OUTLIER -59.55 -52.25 66.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.434 ' C ' ' O ' ' A' ' 64' ' ' ARG . 64.4 t80 -35.38 -57.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.499 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.1 m-85 -58.93 -63.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' PHE . 4.2 mm? -34.02 -57.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -61.59 -39.78 92.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.469 ' N ' ' O ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -60.02 -44.04 94.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -66.57 -49.75 65.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -63.32 -31.06 72.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -69.98 -52.63 22.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 74' ' ' GLU . 2.3 pp -68.65 -47.96 65.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.481 ' N ' HD12 ' A' ' 73' ' ' LEU . 17.8 mt-10 -45.73 -55.45 6.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -49.57 -52.33 30.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 77' ' ' LEU . 93.9 mt -42.52 -41.44 2.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.534 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 25.5 tp -35.74 -34.59 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.445 ' CD ' ' N ' ' A' ' 79' ' ' ASP . 4.2 pp0? -47.25 -51.07 19.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.445 ' N ' ' CD ' ' A' ' 78' ' ' GLN . 15.4 m-20 -44.45 -40.23 5.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.471 ' N ' HD13 ' A' ' 41' ' ' ILE . . . -76.56 -57.12 4.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.534 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 11.9 m170 -61.55 -8.79 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -86.81 -69.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -94.8 -65.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' ARG . 8.0 t -34.12 148.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 87' ' ' GLU . 19.6 t70 -98.74 155.03 17.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 85' ' ' ASP . 87.6 p -35.77 -31.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 85' ' ' ASP . 4.8 tp10 -64.88 -63.87 1.01 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -66.51 -45.56 79.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 62.7 t -49.29 -46.26 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.3 t -50.09 -33.9 20.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.497 ' CE2' HD11 ' A' ' 31' ' ' LEU . 29.3 t80 -64.56 -58.65 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.42 ' CG1' HD22 ' A' ' 38' ' ' LEU . 5.4 mm -59.8 -47.11 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.16 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.9 t -43.16 -43.68 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -57.2 -46.8 82.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.576 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.2 mp -65.14 -69.54 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 95' ' ' LEU . 7.6 p -36.5 -35.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.6 ttm-85 -79.81 -60.42 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 101' ' ' ILE . 26.1 mttp -45.18 -55.09 6.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.431 ' CD2' HD23 ' A' ' 73' ' ' LEU . 33.9 tp -40.31 -42.65 1.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.447 ' CD2' HD13 ' A' ' 73' ' ' LEU . 26.4 mt -71.62 -33.02 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.49 ' N ' ' O ' ' A' ' 98' ' ' LYS . 9.4 mt -71.52 -24.84 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.0 mt -86.98 -58.34 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.499 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 8.2 pt -56.26 -31.09 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.3 p -41.81 116.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.545 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 7.5 ttt85 -44.23 -56.71 7.45 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.671 0.748 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 54.1 Cg_endo -69.76 106.75 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.356 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -167.37 120.23 0.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.057 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -144.17 124.45 13.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.4 t -56.62 130.96 47.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -177.72 83.81 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 124.62 11.26 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.72 2.28 . . . . 0.0 112.333 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 m -115.33 114.45 25.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.2 m -39.46 -58.7 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 p -121.01 87.1 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 p -98.47 42.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.42 144.93 1.26 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 t -73.75 89.55 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.372 . . . . 0.0 110.879 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.5 t -104.82 85.4 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.72 -163.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HB2' ' CB ' ' A' ' 12' ' ' ALA . 54.5 Cg_endo -69.7 162.02 43.66 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.733 2.288 . . . . 0.0 112.367 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' PRO . 2.5 mmmp? -35.93 135.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -39.49 -45.14 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -103.33 44.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . . . -76.66 -56.98 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.09 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' ALA . 4.3 tp60 -36.61 -63.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -45.11 -60.11 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -41.25 -56.79 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.43 -37.84 4.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -62.89 -59.44 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.806 0.336 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 102' ' ' ILE . 3.2 mt -45.76 -30.82 1.75 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -63.53 -47.71 80.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -70.41 -25.7 63.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.484 ' CZ ' HD21 ' A' ' 95' ' ' LEU . 21.9 t80 -57.6 -40.8 79.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.93 -36.36 36.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.493 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 32.7 m -62.03 -22.26 65.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.35 -28.99 11.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.57 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 19.8 m-85 -126.19 102.55 7.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.477 ' HB2' ' CB ' ' A' ' 29' ' ' ALA . . . -135.65 120.71 13.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.709 . . . . 0.0 111.111 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.267 . . . . 0.0 112.344 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.44 32.41 6.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.477 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -132.42 -31.18 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.493 ' NE ' ' O ' ' A' ' 23' ' ' THR . 58.9 mtt85 -130.33 -75.26 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.473 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 1.6 pt? -120.48 153.26 36.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.21 133.49 44.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.437 HD12 ' CD1' ' A' ' 38' ' ' LEU . 65.9 mt -87.96 111.96 22.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.91 26.68 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.455 ' OD2' ' CB ' ' A' ' 38' ' ' LEU . 49.8 t0 -90.75 21.87 3.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' VAL . . . 51.34 -116.53 4.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 40' ' ' PHE . 9.3 t -36.66 -68.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 111.103 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.472 ' C ' ' CD1' ' A' ' 38' ' ' LEU . 1.2 tm? -35.91 -55.87 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.99 -34.91 62.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' A' ' 37' ' ' VAL . 8.7 t80 -44.3 -34.83 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 79' ' ' ASP . 10.3 mt -64.95 -60.38 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.463 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 5.9 t-160 -41.51 -45.5 3.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -67.18 -46.77 72.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -59.52 -68.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' LEU . 97.7 mt -45.12 -69.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 42' ' ' HIS . 89.0 t -36.45 -43.64 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -66.6 -41.2 88.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 45' ' ' ILE . 13.6 mt -63.29 -39.56 94.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.95 -47.59 77.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -50.42 -50.1 52.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -52.59 -46.16 66.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.69 -58.81 5.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.1 mt -40.42 -58.14 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.81 -40.39 66.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 35.3 mmtt -61.47 -66.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.2 t -49.68 -30.33 8.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.09 -31.37 79.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -115.97 18.98 15.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 57.98 48.39 13.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.419 ' N ' HD22 ' A' ' 60' ' ' LEU . 6.2 mt -100.56 -30.69 11.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.461 HG11 ' CE2' ' A' ' 65' ' ' TYR . 19.5 m -63.1 112.25 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 63' ' ' SER . 50.5 p -115.3 159.25 21.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' THR . 12.6 t -35.51 -50.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -61.87 -48.26 81.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.461 ' CE2' HG11 ' A' ' 61' ' ' VAL . 40.1 t80 -41.1 -47.22 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.572 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 23.3 m-85 -71.71 -62.75 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.5 mp -36.0 -45.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -73.39 -44.12 59.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.4 ' N ' ' O ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -56.6 -52.77 63.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -49.2 -44.76 43.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -73.15 -38.17 66.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -62.16 -36.31 81.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.43 HD13 ' CG2' ' A' ' 96' ' ' VAL . 4.1 pp -88.11 -44.37 10.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -48.75 -64.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -40.57 -56.73 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 77' ' ' LEU . 89.9 mt -40.15 -39.08 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.442 ' CD1' HG12 ' A' ' 96' ' ' VAL . 27.8 tp -35.7 -38.73 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.498 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.6 pp0? -46.54 -48.79 19.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.498 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 9.5 m-20 -40.76 -33.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.452 ' CB ' HD23 ' A' ' 38' ' ' LEU . . . -88.35 -57.55 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.438 ' CD2' HG12 ' A' ' 89' ' ' VAL . 9.7 m170 -61.51 -8.24 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 78' ' ' GLN . 22.2 mm-40 -83.38 -60.32 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.74 -54.22 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.6 t -39.85 157.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 87' ' ' GLU . 1.5 m-20 -110.92 158.5 18.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 85' ' ' ASP . 48.9 p -37.04 -28.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 85' ' ' ASP . 8.1 tt0 -69.71 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.82 -44.59 89.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.438 HG12 ' CD2' ' A' ' 81' ' ' HIS . 16.0 t -52.85 -39.21 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.8 t -51.93 -44.97 64.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.473 ' CZ ' HD12 ' A' ' 31' ' ' LEU . 25.2 t80 -58.06 -60.06 4.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 95' ' ' LEU . 14.9 mm -57.59 -57.41 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 92' ' ' ILE . 13.0 t -35.56 -47.83 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -54.19 -42.99 70.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.57 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.4 mp -68.96 -70.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.442 HG12 ' CD1' ' A' ' 77' ' ' LEU . 5.7 p -35.88 -37.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -80.87 -57.92 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -44.78 -51.0 9.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 37.4 tp -45.14 -46.49 11.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.85 -28.35 69.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.0 mt -74.72 -26.43 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.471 ' CG2' ' HG ' ' A' ' 18' ' ' LEU . 10.4 mt -87.12 -63.03 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.572 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 15.0 pt -49.61 -29.41 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 m -68.37 114.05 6.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.611 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 6.9 ttt180 -50.98 -52.13 60.92 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.6 Cg_endo -69.78 -179.9 3.24 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.623 2.215 . . . . 0.0 112.384 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -175.0 149.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.076 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.7 ttm105 -160.76 144.21 13.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 92.0 p -127.16 107.26 9.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -76.45 148.78 36.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -30.99 21.29 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.661 2.241 . . . . 0.0 112.337 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 93.9 p -47.31 113.54 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -165.36 130.16 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 m -73.34 152.59 40.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.906 0.384 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 t -123.69 106.25 10.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.38 -84.4 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t 66.96 37.2 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.838 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -145.87 132.45 19.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.22 -153.31 25.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 159.61 52.79 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.351 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.73 -62.67 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.16 -57.06 8.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.72 -30.05 68.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.17 -38.08 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.048 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -71.89 -46.06 59.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.477 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -53.78 -46.25 70.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.477 ' N ' ' SD ' ' A' ' 14' ' ' MET . 39.2 mt-10 -51.55 -47.15 63.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.95 -26.17 18.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.46 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 19' ' ' GLN . 13.0 mtp85 -76.95 -59.57 2.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' HG ' ' CG2' ' A' ' 102' ' ' ILE . 3.2 mt -40.0 -28.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 17' ' ' ARG . 21.4 mt-30 -66.67 -49.98 64.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -67.65 -28.86 68.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -57.08 -44.62 83.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mt -77.7 -41.54 37.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.502 ' O ' ' CZ ' ' A' ' 30' ' ' ARG . 60.1 m -57.64 -22.69 47.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.073 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.91 -25.63 14.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.078 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.529 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 20.6 m-85 -126.16 85.01 2.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.921 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -124.62 128.2 25.0 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.562 0.696 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 122.04 8.74 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.07 -57.05 3.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -38.9 -36.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.77 0.319 . . . . 0.0 111.069 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.502 ' CZ ' ' O ' ' A' ' 23' ' ' THR . 11.4 mtt-85 -124.64 -70.54 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.57 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 2.6 pt? -119.94 -175.26 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -169.16 149.46 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.093 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 35' ' ' ASP . 9.4 mt -113.69 105.27 13.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.48 -34.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.11 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 33' ' ' LEU . 23.0 t0 -51.3 134.51 27.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -80.94 -70.55 1.33 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.534 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.429 HG23 ' CZ ' ' A' ' 83' ' ' ARG . 2.9 t -52.77 -59.21 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.463 HD21 ' CB ' ' A' ' 80' ' ' ALA . 2.3 tm? -44.37 -49.85 9.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.95 -22.98 67.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.425 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.435 ' CD2' ' NE2' ' A' ' 44' ' ' GLN . 6.3 t80 -52.85 -33.4 49.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.461 HG23 ' CG2' ' A' ' 92' ' ' ILE . 11.8 mt -69.06 -59.15 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.569 ' CD2' HG23 ' A' ' 46' ' ' VAL . 17.9 t-160 -47.32 -49.54 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.814 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -60.67 -42.65 97.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.435 ' NE2' ' CD2' ' A' ' 40' ' ' PHE . 22.7 mt-30 -68.24 -67.8 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 48' ' ' LEU . 52.5 mt -42.44 -65.05 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.569 HG23 ' CD2' ' A' ' 42' ' ' HIS . 53.4 t -34.33 -41.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -69.92 -45.2 68.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.7 mt -57.32 -44.16 83.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.69 -50.83 64.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -48.61 -46.64 39.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.84 -52.07 52.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -44.4 -59.25 2.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.7 mt -44.61 -59.09 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.48 -34.43 61.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.48 ' CB ' ' CG1' ' A' ' 61' ' ' VAL . 28.1 mmtm -69.42 -64.28 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.1 m -42.46 -45.23 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -48.41 -43.49 27.31 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -100.52 4.4 43.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 68.83 47.53 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.413 ' HB2' ' CD ' ' A' ' 55' ' ' LYS . 7.0 mt -103.64 12.44 34.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.48 ' CG1' ' CB ' ' A' ' 55' ' ' LYS . 20.4 m -116.71 118.78 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.1 p -130.49 171.0 13.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.4 p -37.26 -42.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 65' ' ' TYR . 6.5 tpt180 -67.19 -62.57 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.444 ' C ' ' O ' ' A' ' 64' ' ' ARG . 84.4 t80 -34.9 -49.79 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.493 ' O ' ' N ' ' A' ' 69' ' ' MET . 29.9 m-85 -64.23 -63.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -34.29 -61.43 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -58.53 -36.27 73.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.81 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 66' ' ' PHE . 10.7 ttt -65.09 -62.63 1.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.451 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 9.9 mt-30 -39.56 -43.11 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.15 -40.1 65.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -59.95 -36.13 76.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.457 HD13 ' N ' ' A' ' 74' ' ' GLU . 3.7 pp -88.72 -43.86 10.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.457 ' N ' HD13 ' A' ' 73' ' ' LEU . 17.4 mt-10 -50.71 -58.19 6.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -43.2 -53.57 5.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 77' ' ' LEU . 74.4 mt -42.58 -41.51 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.537 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 29.5 tp -36.05 -35.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.5 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.4 pp0? -46.39 -51.8 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.5 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 6.8 m-20 -38.25 -35.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.463 ' CB ' HD21 ' A' ' 38' ' ' LEU . . . -84.0 -55.98 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.537 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 7.8 m170 -62.41 -7.76 4.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 78' ' ' GLN . 15.1 mt-10 -86.35 -49.97 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -115.71 -73.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 83' ' ' ARG . 95.6 p -34.75 152.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.47 ' O ' ' C ' ' A' ' 86' ' ' SER . 0.7 OUTLIER -98.86 158.08 15.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 85' ' ' ASP . 60.0 p -32.36 -38.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 85' ' ' ASP . 5.0 mp0 -61.09 -65.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -60.55 -33.66 72.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.458 HG13 ' CG2' ' A' ' 93' ' ' VAL . 15.9 t -70.89 -25.13 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.4 p -58.36 -36.34 73.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CZ ' HD12 ' A' ' 31' ' ' LEU . 22.8 t80 -67.22 -58.92 3.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.461 ' CG2' HG23 ' A' ' 41' ' ' ILE . 12.2 mm -60.5 -52.53 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.458 ' CG2' HG13 ' A' ' 89' ' ' VAL . 3.0 t -38.4 -49.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -52.51 -43.66 65.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.529 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.7 mp -64.64 -69.28 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.415 HG12 ' CD1' ' A' ' 77' ' ' LEU . 4.8 p -38.07 -35.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.434 ' CG ' HD13 ' A' ' 101' ' ' ILE . 12.7 ttm180 -79.06 -64.98 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 101' ' ' ILE . 9.0 mttm -43.55 -48.84 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.4 tp -43.1 -46.18 5.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 70' ' ' GLN . 7.8 mt -71.87 -24.5 61.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 98' ' ' LYS . 13.8 mt -80.95 -16.07 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.425 ' CG2' ' HG ' ' A' ' 18' ' ' LEU . 13.2 mt -96.74 -63.1 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.093 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.467 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 24.5 pt -50.26 -29.03 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 105' ' ' ARG . 3.1 m -42.4 102.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.493 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 0.7 OUTLIER -33.73 -59.54 0.5 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.617 0.723 . . . . 0.0 110.864 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 54.1 Cg_endo -69.78 -48.29 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.74 2.293 . . . . 0.0 112.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 51.5 41.63 28.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.2 tpt85 67.94 43.31 1.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.5 m -120.14 -44.43 2.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.84 110.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 133.88 26.67 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.336 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.6 m 42.82 41.01 2.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.5 t -118.27 158.36 25.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.505 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t 71.51 42.2 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -38.68 149.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.71 90.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 t -58.4 146.26 35.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.2 p -96.71 -52.94 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.52 152.63 8.64 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 9' ' ' LYS . 54.0 Cg_endo -69.79 -0.86 7.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 0.0 112.327 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 8' ' ' PRO . 31.9 pttt -35.27 -48.71 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.31 -59.88 2.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -122.68 45.84 2.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.169 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 13' ' ' GLN . . . -84.17 -65.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 12' ' ' ALA . 32.0 tt0 -35.99 -54.72 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.471 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER -47.71 -60.82 2.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.471 ' N ' ' SD ' ' A' ' 14' ' ' MET . 57.5 mt-10 -41.16 -59.34 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -38.85 -39.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 20' ' ' GLU . 56.0 mtp85 -63.48 -65.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' ARG . 3.4 mt -36.0 -39.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.503 ' OE1' ' CD1' ' A' ' 53' ' ' LEU . 15.5 mm-40 -59.49 -49.3 78.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' ARG . 14.3 tt0 -71.88 -25.67 62.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.448 ' CE2' HD23 ' A' ' 22' ' ' LEU . 4.5 t80 -58.12 -39.48 78.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.448 HD23 ' CE2' ' A' ' 21' ' ' PHE . 0.8 OUTLIER -81.58 -43.62 18.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.7 m -53.56 -25.53 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.24 -34.57 12.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.574 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 7.8 m-85 -112.8 48.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.0 114.05 61.57 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 111.075 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 99.64 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.704 2.269 . . . . 0.0 112.372 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 124.78 -28.54 5.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.81 -61.98 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.739 0.304 . . . . 0.0 111.072 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -128.52 -29.1 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.574 HD12 ' CE2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -131.43 149.4 52.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.467 ' N ' ' HG ' ' A' ' 31' ' ' LEU . . . -160.45 134.6 7.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.488 ' CD2' ' OE1' ' A' ' 88' ' ' GLU . 21.9 mt -100.2 110.66 22.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 35' ' ' ASP . . . -61.84 -37.28 83.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' ALA . 10.2 t0 -36.18 135.38 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.94 -99.93 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.46 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 40' ' ' PHE . 6.5 t -38.33 -65.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.889 0.376 . . . . 0.0 111.075 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 39' ' ' GLY . 1.6 tm? -35.76 -49.88 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.464 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -60.66 -39.27 96.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.526 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 37' ' ' VAL . 8.7 t80 -40.24 -28.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.854 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.447 ' CG2' HD12 ' A' ' 45' ' ' ILE . 10.9 mt -76.78 -56.39 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -52.26 -48.29 65.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -63.39 -41.14 98.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 40' ' ' PHE . 12.6 mt-30 -64.72 -66.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' A' ' 48' ' ' LEU . 84.2 mt -45.76 -65.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 38.3 t -41.43 -34.97 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -77.14 -35.69 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.5 mt -66.98 -56.03 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -38.69 -47.41 1.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -46.64 -50.81 17.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.33 -50.3 62.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.6 t -43.54 -58.57 2.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.503 ' CD1' ' OE1' ' A' ' 19' ' ' GLN . 53.5 mt -50.44 -56.7 10.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.07 -28.8 11.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.451 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 26.0 mmtt -78.22 -63.35 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.8 m -48.75 -40.7 29.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.66 -31.28 53.0 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -112.14 1.55 16.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 t30 71.31 45.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 mt -97.86 -20.61 17.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.451 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 31.0 m -70.76 133.75 31.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.8 p -133.49 164.53 26.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.5 t -41.55 -48.93 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' TYR . 9.0 tpt180 -62.26 -52.37 64.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' ARG . 58.7 t80 -37.27 -57.19 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.528 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 22.0 m-85 -62.16 -63.18 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PHE . 3.9 mt -36.8 -46.59 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -74.76 -45.75 41.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.9 ttt -52.62 -38.11 59.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -62.93 -45.43 92.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -71.07 -34.32 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -63.96 -41.59 97.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 pp -83.84 -48.33 10.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -43.78 -66.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -37.61 -56.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 77' ' ' LEU . 65.4 mt -39.58 -41.23 0.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.559 HD22 ' CE1' ' A' ' 81' ' ' HIS . 31.4 tp -35.62 -40.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.53 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.8 pp0? -44.57 -49.67 10.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.53 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 6.8 m-20 -40.56 -36.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.8 -58.49 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.564 ' CD2' HG13 ' A' ' 89' ' ' VAL . 7.9 m170 -60.99 -8.59 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 78' ' ' GLN . 27.6 mm-40 -83.76 -68.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.6 -54.02 3.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.427 ' HB3' ' CG2' ' A' ' 89' ' ' VAL . 5.2 t -43.35 156.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 87' ' ' GLU . 6.3 m-20 -103.76 154.01 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.0 p -38.07 -27.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 85' ' ' ASP . 31.0 mt-10 -69.27 -66.24 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.488 ' OE1' ' CD2' ' A' ' 33' ' ' LEU . 6.3 mm-40 -63.88 -40.93 97.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.564 HG13 ' CD2' ' A' ' 81' ' ' HIS . 17.4 t -55.25 -38.41 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.4 t -48.63 -50.24 33.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.574 ' CE2' HD12 ' A' ' 31' ' ' LEU . 30.0 t80 -55.03 -63.81 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.437 ' CG2' HG21 ' A' ' 41' ' ' ILE . 8.7 mm -48.95 -50.74 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.5 t -44.99 -46.36 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -56.45 -47.94 78.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.574 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.1 mp -61.99 -67.19 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.6 p -38.74 -38.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.472 ' HG2' ' N ' ' A' ' 98' ' ' LYS . 3.0 ttt85 -76.93 -64.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.472 ' N ' ' HG2' ' A' ' 97' ' ' ARG . 25.6 mttp -40.74 -46.6 2.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.455 HD21 ' CG2' ' A' ' 45' ' ' ILE . 23.3 tp -47.97 -46.21 32.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.75 -27.27 63.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.464 HD12 ' CG ' ' A' ' 97' ' ' ARG . 11.1 mt -76.92 -18.62 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 15.4 mt -93.13 -61.65 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.528 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 32.5 pt -50.62 -28.47 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.6 m -45.19 116.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.624 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 1.4 tmt_? -47.37 -52.09 38.58 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.58 0.705 . . . . 0.0 110.835 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 54.0 Cg_endo -69.69 -43.37 2.76 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 50.63 38.76 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.079 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -117.48 94.13 4.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.2 t -52.12 -45.74 65.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 167.67 -96.47 0.12 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 148.63 65.23 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.714 2.276 . . . . 0.0 112.343 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.6 m -124.34 140.68 52.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.5 p -118.8 42.35 2.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -112.49 108.9 18.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.362 . . . . 0.0 110.846 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 t -81.37 141.78 33.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.72 -173.36 17.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.7 p -89.52 115.86 27.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.38 . . . . 0.0 110.834 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 m -117.88 153.59 33.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.5 142.3 12.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.46 5.7 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.67 -60.15 1.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.97 133.07 50.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.4 m 73.4 33.43 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.44 -58.84 3.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -46.6 -41.06 13.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.439 ' CE ' ' HA ' ' A' ' 103' ' ' ILE . 7.1 ttt -57.02 -57.54 12.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -45.19 -52.79 8.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.99 -37.75 9.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 18' ' ' LEU . 62.2 mtt180 -67.26 -63.03 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 17' ' ' ARG . 4.8 mt -36.56 -40.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -58.86 -56.04 27.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -62.78 -30.76 71.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -57.21 -44.54 83.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mt -79.09 -46.15 18.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.9 m -53.19 -23.5 8.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.75 -36.51 10.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.576 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 17.6 m-85 -114.22 65.69 0.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.438 ' CB ' ' HB1' ' A' ' 29' ' ' ALA . . . -105.13 114.06 63.98 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.614 0.721 . . . . 0.0 111.092 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 111.64 2.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.61 -17.94 54.11 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.438 ' HB1' ' CB ' ' A' ' 26' ' ' ALA . . . -74.95 -54.55 7.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.439 ' CD ' HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -130.63 -29.15 1.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.465 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 1.5 pt? -122.51 -179.51 4.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.954 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.33 118.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 34' ' ' ALA . 55.7 mt -92.07 85.35 5.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.31 -43.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.403 ' CG ' ' HB3' ' A' ' 38' ' ' LEU . 6.1 t0 -38.43 128.31 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.63 -94.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 40' ' ' PHE . 12.3 t -38.39 -65.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 111.105 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.459 HD23 ' CB ' ' A' ' 84' ' ' SER . 2.0 tm? -35.72 -57.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.06 -35.54 64.68 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.481 ' CD2' ' NE2' ' A' ' 44' ' ' GLN . 7.0 t80 -41.15 -31.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.464 ' CG1' ' HB2' ' A' ' 79' ' ' ASP . 15.5 mt -73.95 -59.66 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.564 ' CD2' HG22 ' A' ' 46' ' ' VAL . 18.0 t-160 -46.06 -43.49 14.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -68.89 -53.71 19.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.481 ' NE2' ' CD2' ' A' ' 40' ' ' PHE . 16.1 mt-30 -53.21 -60.69 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.3 mt -50.1 -63.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.564 HG22 ' CD2' ' A' ' 42' ' ' HIS . 75.4 t -45.16 -28.3 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.38 -40.26 36.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.6 mt -66.75 -48.36 69.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -44.71 -49.08 10.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -48.61 -52.3 23.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -48.03 -50.85 26.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' LYS . 5.1 t -46.91 -64.91 0.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' CYS . 18.8 mt -36.53 -58.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.05 -38.43 65.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.541 ' HE3' ' CE1' ' A' ' 65' ' ' TYR . 34.5 mmtt -65.73 -66.79 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.9 p -44.63 -40.13 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.96 -40.91 83.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.449 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -104.26 13.22 32.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.2 m120 59.95 50.3 6.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.415 ' HB2' ' CD ' ' A' ' 55' ' ' LYS . 7.0 mt -102.23 -24.52 13.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.435 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 23.1 m -65.88 118.44 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.5 p -120.06 163.06 18.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.0 p -37.65 -57.88 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 tpp85 -56.03 -49.81 72.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.541 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 61.3 t80 -39.19 -48.15 1.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.553 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.3 m-85 -71.94 -64.17 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' PHE . 3.0 mp -33.97 -53.86 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -64.59 -42.37 95.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -57.9 -51.38 69.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -53.19 -49.92 65.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -65.87 -36.08 82.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -64.58 -50.3 67.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.469 ' CD1' HD21 ' A' ' 100' ' ' LEU . 3.7 pp -71.51 -44.24 65.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -49.28 -63.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.5 tpp85 -41.65 -54.84 3.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 77' ' ' LEU . 95.3 mt -40.43 -40.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.554 HD23 ' CE1' ' A' ' 81' ' ' HIS . 32.7 tp -35.81 -39.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.517 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.9 pp0? -44.57 -49.32 10.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.517 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 7.7 m-20 -40.54 -37.2 0.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.407 ' N ' HD13 ' A' ' 41' ' ' ILE . . . -82.11 -59.63 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.554 ' CE1' HD23 ' A' ' 77' ' ' LEU . 7.9 m170 -60.56 -8.73 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 78' ' ' GLN . 7.5 mt-10 -80.95 -65.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.8 -58.66 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.459 ' CB ' HD23 ' A' ' 38' ' ' LEU . 37.2 t -38.88 156.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 87' ' ' GLU . 14.6 m-20 -102.11 157.29 16.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.5 p -39.61 -27.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 85' ' ' ASP . 10.7 tp10 -69.16 -66.2 0.61 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -62.36 -38.59 90.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 89.9 t -57.2 -46.14 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.2 t -45.53 -41.87 10.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.465 ' CZ ' HD12 ' A' ' 31' ' ' LEU . 35.9 t80 -60.34 -58.12 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.1 mm -57.93 -52.99 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.3 t -39.65 -47.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -54.17 -44.66 71.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.576 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 5.0 mp -65.32 -66.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.457 ' CG2' HD11 ' A' ' 73' ' ' LEU . 5.9 p -43.16 -35.9 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -76.34 -62.56 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 101' ' ' ILE . 10.7 mttm -44.48 -53.57 6.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.442 HD21 ' CD2' ' A' ' 73' ' ' LEU . 28.2 tp -39.92 -44.68 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' A' ' 73' ' ' LEU . 21.1 mt -71.19 -33.53 70.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 98' ' ' LYS . 14.5 mt -71.63 -26.23 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 17.7 mt -82.27 -63.13 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.553 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 18.4 pt -52.83 -37.23 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.8 p -38.86 108.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.531 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 14.7 ttt-85 -38.95 -57.71 1.98 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.593 0.711 . . . . 0.0 110.834 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.9 Cg_endo -69.76 138.63 38.29 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.679 2.253 . . . . 0.0 112.305 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -174.35 161.12 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.7 149.98 21.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.4 p -129.81 128.73 42.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 120.11 135.16 4.91 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 112' ' ' SER . 54.2 Cg_endo -69.72 105.58 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 111' ' ' PRO . 92.0 p 36.34 42.03 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.1 t -95.46 117.69 30.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.814 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -82.52 92.43 7.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 t 46.63 45.16 14.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.55 -154.66 6.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 p -156.35 121.32 4.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.389 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -109.03 107.1 17.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.76 -178.35 30.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -164.0 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 12' ' ' ALA . 23.7 mmmt -125.83 168.54 13.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 9' ' ' LYS . . . -34.9 -37.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.54 44.31 1.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 9' ' ' LYS . . . -81.31 -52.96 6.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -43.17 -47.41 6.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.1 ttt -55.62 -50.22 70.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -49.3 -58.29 5.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.05 -33.77 0.26 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HB2' ' CG2' ' A' ' 102' ' ' ILE . 46.7 mtp85 -68.28 -58.31 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mt -43.44 -38.98 3.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -56.84 -54.09 50.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -63.43 -33.93 76.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.416 ' CD2' HD22 ' A' ' 22' ' ' LEU . 13.7 t80 -55.07 -45.5 75.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.841 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.416 HD22 ' CD2' ' A' ' 21' ' ' PHE . 1.2 mt -76.99 -44.76 29.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.9 m -54.11 -25.17 20.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.52 -33.47 11.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.581 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 20.3 m-85 -117.45 76.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.76 115.37 35.21 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 112.31 3.05 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.635 2.224 . . . . 0.0 112.367 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.04 -34.97 4.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.57 -53.46 58.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.465 ' HD3' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -131.35 -31.81 1.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.465 ' N ' ' HD3' ' A' ' 30' ' ' ARG . 1.1 pp -149.68 169.62 20.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.2 -175.31 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.0 mt -124.51 138.24 54.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.6 -24.8 33.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.047 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 36' ' ' GLY . 7.4 t70 -42.42 165.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' A' ' 35' ' ' ASP . . . -79.25 -121.11 0.32 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.519 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' PHE . 0.4 OUTLIER -49.56 -35.3 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.885 0.374 . . . . 0.0 111.169 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.477 ' C ' ' CD1' ' A' ' 38' ' ' LEU . 1.3 tm? -35.91 -58.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 40' ' ' PHE . . . -47.82 -37.9 15.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.495 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 37' ' ' VAL . 1.8 t80 -35.13 -45.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.868 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 42' ' ' HIS . 13.5 mt -59.61 -68.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.567 ' CD2' HG22 ' A' ' 46' ' ' VAL . 18.7 t-160 -36.69 -42.0 0.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -63.78 -49.18 73.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.459 ' NE2' HD21 ' A' ' 76' ' ' LEU . 11.9 mt-30 -61.42 -63.25 1.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 48' ' ' LEU . 96.8 mt -44.43 -66.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.567 HG22 ' CD2' ' A' ' 42' ' ' HIS . 20.9 t -39.14 -42.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.84 -42.8 76.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 45' ' ' ILE . 14.7 mt -60.97 -46.68 89.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.27 -50.64 49.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -47.52 -53.07 15.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -47.45 -54.19 12.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' LYS . 3.9 t -43.15 -63.88 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.3 mt -38.38 -57.82 1.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.32 -34.23 32.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.465 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 28.5 mmtm -71.95 -66.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 t -42.79 -41.58 3.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.69 -37.7 62.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.526 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -105.58 4.68 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.5 t30 66.8 45.8 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mt -97.82 -21.87 16.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.465 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 20.1 m -67.95 128.55 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.3 p -132.97 166.97 21.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.0 p -37.63 -57.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.421 ' NH1' ' HB2' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -54.94 -53.29 57.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.444 ' CZ ' ' HG3' ' A' ' 55' ' ' LYS . 47.7 t80 -39.31 -48.92 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.513 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 22.0 m-85 -72.0 -63.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.5 mp -35.61 -57.25 0.64 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.2 -47.25 85.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -51.73 -41.98 61.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -61.81 -54.05 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.93 -30.6 71.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -67.86 -52.03 41.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.474 HD11 ' N ' ' A' ' 74' ' ' GLU . 3.6 pp -70.4 -46.19 64.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.474 ' N ' HD11 ' A' ' 73' ' ' LEU . 18.0 mt-10 -46.92 -63.24 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -40.65 -53.8 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.459 HD21 ' NE2' ' A' ' 44' ' ' GLN . 68.3 mt -43.15 -42.91 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.489 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 29.8 tp -35.57 -33.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' LEU . 4.1 pp0? -45.77 -51.21 13.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.425 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 7.8 m-20 -43.22 -41.18 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.44 -59.27 2.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.489 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 11.3 m170 -60.78 -8.71 3.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 78' ' ' GLN . 41.9 mm-40 -83.02 -68.86 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.444 ' NE ' HG13 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -99.5 -59.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 83' ' ' ARG . 7.7 t -35.87 152.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' GLU . 1.0 OUTLIER -102.34 150.57 23.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 85' ' ' ASP . 85.7 p -34.09 -35.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 85' ' ' ASP . 18.2 tt0 -59.74 -65.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -66.56 -45.49 79.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 64.1 t -46.65 -36.12 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.3 t -58.17 -42.41 85.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -56.52 -61.88 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 95' ' ' LEU . 11.4 mm -56.18 -52.56 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.5 t -37.81 -48.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -51.99 -43.56 63.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.581 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.8 mp -66.78 -70.04 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.429 ' CG2' HD11 ' A' ' 73' ' ' LEU . 7.5 p -39.33 -35.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' A' ' 98' ' ' LYS . 6.8 ttt180 -79.54 -64.42 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.467 ' N ' ' HG2' ' A' ' 97' ' ' ARG . 13.1 mttm -40.54 -52.26 2.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 34.9 tp -41.44 -49.85 3.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 18.5 mt -64.79 -30.11 71.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 98' ' ' LYS . 3.7 mt -75.97 -21.71 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.437 ' CG2' ' HB2' ' A' ' 17' ' ' ARG . 10.5 mt -92.24 -63.09 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.513 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 26.0 pt -49.09 -27.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.2 m -61.73 112.77 2.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.626 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 12.7 ttt180 -52.1 -52.04 65.89 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.8 Cg_endo -69.82 -43.03 2.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 43.63 39.01 2.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.6 ttt180 -150.16 159.46 44.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.8 m 56.68 44.0 24.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -98.03 -92.95 1.95 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 100.01 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.719 2.279 . . . . 0.0 112.316 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 43.2 p -150.52 158.87 44.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.8 t -57.07 131.82 51.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -100.54 101.18 12.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -115.43 161.87 17.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.95 142.53 17.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 m -131.86 88.1 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.352 . . . . 0.0 110.829 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 p -90.73 81.92 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.47 158.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' LYS . 53.5 Cg_endo -69.79 -39.15 6.78 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.258 . . . . 0.0 112.335 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' PRO . 1.3 tppt? 34.37 39.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.45 115.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 50.64 48.57 22.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 13' ' ' GLN . . . -90.65 -68.56 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.058 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' ALA . 8.5 tt0 -35.17 -43.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.486 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -56.03 -55.31 34.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.837 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.486 ' N ' ' SD ' ' A' ' 14' ' ' MET . 65.8 mt-10 -42.03 -56.16 2.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.83 -36.6 8.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.54 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 -63.55 -62.91 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.339 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.416 ' HG ' ' CG2' ' A' ' 102' ' ' ILE . 2.8 mt -42.74 -35.1 1.04 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -59.5 -53.98 51.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -69.14 -29.79 67.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.485 ' CE2' HD21 ' A' ' 22' ' ' LEU . 10.9 t80 -55.08 -45.34 75.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.485 HD21 ' CE2' ' A' ' 21' ' ' PHE . 1.0 OUTLIER -78.34 -46.17 20.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.4 m -50.9 -25.4 4.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.22 -35.33 10.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.567 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 17.4 m-85 -113.9 67.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.897 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.24 121.28 39.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.585 0.707 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 110.85 2.65 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.252 . . . . 0.0 112.375 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.54 -28.47 14.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.83 -69.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.41 -17.38 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.407 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 1.4 pt? -129.15 177.46 7.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.02 113.96 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 34' ' ' ALA . 57.5 mt -86.33 80.08 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.98 -41.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 34' ' ' ALA . 7.8 t0 -37.17 132.28 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.66 -98.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.538 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.441 ' CG1' ' OD1' ' A' ' 79' ' ' ASP . 14.0 t -37.69 -66.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 39' ' ' GLY . 1.8 tm? -35.97 -50.65 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.447 ' N ' HD12 ' A' ' 38' ' ' LEU . . . -61.28 -40.88 99.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.518 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' VAL . 10.6 t80 -40.16 -27.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 79' ' ' ASP . 10.8 mt -76.25 -54.96 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.178 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -52.98 -42.01 65.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -70.33 -40.63 74.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -65.71 -65.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 48' ' ' LEU . 88.2 mt -47.43 -66.79 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -38.02 -40.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -69.9 -39.52 76.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 45' ' ' ILE . 13.8 mt -63.89 -46.62 84.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.74 -48.85 40.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -46.06 -50.54 15.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.42 -41.47 69.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.2 t -52.26 -58.48 6.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.4 mt -48.82 -57.04 7.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.65 -33.29 32.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.426 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 35.6 mmtt -71.75 -66.35 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 65.4 m -44.71 -39.72 5.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.52 -38.97 72.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -104.1 5.01 34.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 66.98 47.25 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.403 ' N ' HD21 ' A' ' 60' ' ' LEU . 6.2 mt -97.5 -34.56 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.426 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 28.9 m -54.54 116.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 63' ' ' SER . 61.9 p -120.9 160.18 23.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 62' ' ' THR . 22.4 p -34.86 -49.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -60.01 -52.19 66.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -40.7 -55.47 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.555 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 24.3 m-85 -63.71 -63.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' PHE . 4.4 mt -37.12 -49.44 0.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -70.41 -46.74 63.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.41 -52.67 44.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -53.28 -49.27 67.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.87 -28.91 67.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -72.04 -44.45 63.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.468 HD13 ' CG2' ' A' ' 96' ' ' VAL . 3.5 pp -78.05 -49.42 14.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.451 ' N ' HD11 ' A' ' 73' ' ' LEU . 16.4 mt-10 -43.78 -63.66 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 75' ' ' ARG . 0.7 OUTLIER -39.24 -56.22 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' LEU . 80.1 mt -40.73 -39.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.45 ' CD1' HG13 ' A' ' 96' ' ' VAL . 28.1 tp -35.89 -39.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.52 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.8 pp0? -48.1 -49.22 32.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.52 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 5.8 m-20 -40.59 -38.38 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.432 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -80.88 -60.88 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.44 ' CE1' HD22 ' A' ' 77' ' ' LEU . 9.2 m170 -57.14 -11.63 1.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.8 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.13 -65.85 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.483 ' N ' ' HD2' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -107.92 -47.91 3.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.2 t -46.04 143.02 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 87' ' ' GLU . 10.1 t70 -92.31 153.85 18.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 85' ' ' ASP . 71.6 p -37.26 -27.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 85' ' ' ASP . 46.4 mt-10 -67.56 -66.29 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -65.45 -36.83 85.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.44 HG13 ' CD2' ' A' ' 81' ' ' HIS . 40.9 t -57.92 -44.65 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.3 t -48.41 -44.25 34.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.407 ' CE2' ' CD1' ' A' ' 31' ' ' LEU . 27.7 t80 -57.36 -63.12 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.419 ' CG2' HG23 ' A' ' 41' ' ' ILE . 17.0 mm -53.73 -48.49 60.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.9 t -41.63 -47.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -53.91 -44.17 70.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.567 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 5.0 mp -64.13 -70.2 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.468 ' CG2' HD13 ' A' ' 73' ' ' LEU . 7.0 p -38.73 -36.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -77.98 -66.27 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 101' ' ' ILE . 10.3 mttm -40.44 -52.56 2.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 21.8 tp -42.75 -43.95 4.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.6 mt -72.18 -27.56 62.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 98' ' ' LYS . 5.6 mt -81.03 -19.6 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.416 ' CG2' ' HG ' ' A' ' 18' ' ' LEU . 19.0 mt -88.28 -61.62 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.555 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 14.7 pt -54.62 -26.76 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 m -53.99 113.9 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.63 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 7.7 ttm180 -48.05 -52.1 43.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.5 Cg_endo -69.85 139.44 39.92 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.317 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -165.22 120.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -94.85 129.91 41.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 84.5 p -146.34 170.85 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 164.31 -160.63 33.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 112' ' ' SER . 53.5 Cg_endo -69.75 -7.36 20.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.647 2.231 . . . . 0.0 112.344 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 111' ' ' PRO . 24.5 m -34.5 101.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 93.2 p -171.62 116.08 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -106.48 113.06 26.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.839 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.6 m -38.58 -49.39 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.56 178.39 15.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 t -63.74 -45.28 90.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -98.02 -50.43 4.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.16 -157.37 28.93 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 86.2 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.71 2.273 . . . . 0.0 112.323 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.26 -43.05 32.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.68 146.03 27.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 p 47.78 25.7 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.86 -71.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -39.18 -63.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.491 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -45.44 -62.86 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.491 ' N ' ' SD ' ' A' ' 14' ' ' MET . 11.6 mt-10 -42.32 -51.79 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.12 -40.37 43.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -62.39 -60.14 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.408 ' HG ' ' CG2' ' A' ' 102' ' ' ILE . 4.3 mt -38.7 -33.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -64.77 -50.94 64.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -68.15 -29.78 68.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.405 ' CD2' HD22 ' A' ' 22' ' ' LEU . 12.6 t80 -55.58 -44.64 77.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.405 HD22 ' CD2' ' A' ' 21' ' ' PHE . 1.1 mt -78.73 -44.75 22.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.3 m -55.71 -24.99 37.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.77 -39.5 10.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -114.4 63.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.19 125.47 35.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.54 0.686 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 102.16 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.54 -30.61 7.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.64 -65.27 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.461 ' CD ' HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -128.55 -27.96 2.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.573 HD11 ' CZ ' ' A' ' 91' ' ' PHE . 1.1 pt? -118.73 178.56 4.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.05 110.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 34' ' ' ALA . 61.0 mt -81.12 83.37 6.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.72 -45.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' ALA . 19.3 t0 -34.51 129.42 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' VAL . . . -65.72 -97.6 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.452 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.45 ' CG1' ' OD1' ' A' ' 79' ' ' ASP . 10.4 t -36.91 -64.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 0.0 111.174 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.474 HD22 ' CB ' ' A' ' 84' ' ' SER . 2.2 tm? -35.77 -61.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.49 -37.5 56.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' VAL . 7.2 t80 -39.32 -32.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.355 . . . . 0.0 110.918 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.432 HD11 ' N ' ' A' ' 80' ' ' ALA . 14.4 mt -70.63 -59.82 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.566 ' CD2' HG21 ' A' ' 46' ' ' VAL . 16.7 t-160 -47.82 -46.77 31.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -63.56 -47.58 80.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.461 ' NE2' HD22 ' A' ' 76' ' ' LEU . 15.1 mt-30 -60.78 -69.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 97.7 mt -41.06 -56.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.566 HG21 ' CD2' ' A' ' 42' ' ' HIS . 18.7 t -47.97 -39.63 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -70.4 -39.29 74.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.53 -50.55 69.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.84 -49.06 8.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -46.6 -51.81 14.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.23 -47.15 55.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 55' ' ' LYS . 6.2 t -46.38 -63.88 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.8 mt -41.38 -57.97 2.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.25 -31.72 21.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.462 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 48.1 mmtt -76.44 -59.99 2.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.2 p -51.47 -37.3 48.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.13 -40.65 95.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.544 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -102.46 9.99 39.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.843 0.354 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 61.66 49.84 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 60' ' ' LEU . 5.3 mt -99.92 -27.91 13.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 35.4 m -63.65 121.52 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 63' ' ' SER . 69.2 p -123.44 158.13 31.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.197 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 62' ' ' THR . 2.5 m -34.55 -51.99 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -58.65 -52.47 65.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -39.9 -62.32 0.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.6 m-85 -55.91 -59.05 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 mt -41.01 -52.63 3.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -69.15 -37.45 78.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.4 ttt -61.23 -35.48 77.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -64.75 -43.97 91.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -70.35 -36.46 74.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -62.92 -45.64 91.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.453 HD11 ' CG2' ' A' ' 96' ' ' VAL . 3.6 pp -77.08 -46.64 22.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -48.13 -62.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -39.49 -55.78 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.461 HD22 ' NE2' ' A' ' 44' ' ' GLN . 91.8 mt -40.41 -41.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 76' ' ' LEU . 20.9 tp -35.73 -39.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.543 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.5 pp0? -45.79 -49.49 15.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.543 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 5.9 m-20 -40.99 -37.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.432 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -80.98 -58.07 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -63.78 -7.42 7.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 78' ' ' GLN . 4.3 mm-40 -80.39 -64.18 1.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.62 -57.04 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.474 ' CB ' HD22 ' A' ' 38' ' ' LEU . 13.9 t -41.1 160.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.6 OUTLIER -105.77 154.16 20.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 85' ' ' ASP . 51.7 p -37.03 -28.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ASP . 3.6 tp10 -66.06 -64.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -64.3 -33.0 74.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.453 HG12 ' CG2' ' A' ' 93' ' ' VAL . 60.5 t -65.15 -31.65 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.0 t -55.97 -44.74 78.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.573 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 42.6 t80 -61.86 -59.91 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.425 ' CG2' HG21 ' A' ' 41' ' ' ILE . 30.7 mm -54.47 -44.9 69.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.453 ' CG2' HG12 ' A' ' 89' ' ' VAL . 15.2 t -45.72 -48.08 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -52.08 -44.32 64.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 mp -62.94 -70.97 0.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.453 ' CG2' HD11 ' A' ' 73' ' ' LEU . 6.8 p -39.41 -36.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.444 ' N ' HG11 ' A' ' 96' ' ' VAL . 11.2 ttm180 -75.16 -65.42 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 101' ' ' ILE . 9.4 mttm -41.84 -53.82 3.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.4 tp -39.99 -46.54 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.2 mt -69.41 -30.58 68.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 98' ' ' LYS . 8.2 mt -78.28 -25.11 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.408 ' CG2' ' HG ' ' A' ' 18' ' ' LEU . 13.0 mt -86.31 -58.69 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.573 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 24.4 pt -52.34 -26.52 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 m -47.3 108.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.81 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.63 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 5.8 ttm-85 -45.0 -52.06 20.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.66 0.743 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.5 Cg_endo -69.79 -44.42 2.07 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.329 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 55.92 38.8 30.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -82.29 126.74 32.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.1 t -78.37 107.7 11.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -167.75 -173.43 35.81 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 147.45 62.69 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 t -84.33 174.26 10.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.1 t -162.02 158.15 24.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 p -77.65 -57.95 3.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.863 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -86.59 144.91 26.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.01 174.7 28.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.3 p -76.33 107.94 8.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.844 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -80.49 -60.85 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.07 135.24 40.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.34 67.97 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.325 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -132.16 -36.76 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.0 -34.7 7.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 p -101.48 9.73 41.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.98 -41.39 64.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 tp60 -72.65 -31.16 64.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 6.1 ttt -71.76 -58.07 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 17' ' ' ARG . 15.6 mt-10 -45.48 -59.79 2.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -37.78 -30.56 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 19' ' ' GLN . 61.2 mtp180 -74.47 -67.45 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.367 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.467 ' HG ' ' CG2' ' A' ' 102' ' ' ILE . 2.6 mt -37.11 -32.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' ARG . 67.9 mt-30 -62.59 -50.82 69.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 17' ' ' ARG . 13.4 tt0 -68.01 -29.83 68.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -57.26 -46.85 82.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mt -74.24 -43.17 58.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.3 m -57.91 -21.57 44.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.82 -19.54 15.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.558 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 23.4 m-85 -134.13 89.2 2.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.86 123.05 20.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 123.16 9.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.322 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.21 -48.17 3.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.494 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.61 -32.61 59.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 111.103 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.53 -70.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.558 HD11 ' CE2' ' A' ' 91' ' ' PHE . 4.0 pp -125.24 -174.62 3.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.73 178.32 9.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.501 ' CD2' ' CD ' ' A' ' 88' ' ' GLU . 9.2 mt -138.04 107.06 6.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -36.2 -48.74 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.419 ' CG ' ' HB3' ' A' ' 38' ' ' LEU . 44.1 t0 -43.68 128.97 5.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.26 -81.96 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.466 HG23 ' CZ ' ' A' ' 83' ' ' ARG . 4.3 t -41.96 -63.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.444 HD22 ' CB ' ' A' ' 80' ' ' ALA . 2.0 tm? -35.92 -51.08 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.55 -39.38 94.94 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.466 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 37' ' ' VAL . 11.0 t80 -42.36 -27.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.899 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 79' ' ' ASP . 10.4 mt -75.24 -54.0 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.562 ' CD2' HG23 ' A' ' 46' ' ' VAL . 17.9 t-160 -51.78 -44.84 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -65.84 -48.02 73.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.818 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -59.35 -59.34 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' LEU . 79.6 mt -51.79 -67.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.562 HG23 ' CD2' ' A' ' 42' ' ' HIS . 12.5 t -35.61 -44.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -66.66 -42.57 86.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 45' ' ' ILE . 11.8 mt -59.14 -49.36 78.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -46.9 -46.33 21.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 5.7 mmm180 -50.69 -50.65 54.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -48.79 -55.31 11.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.3 t -41.72 -62.91 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.438 ' CD2' ' HB2' ' A' ' 18' ' ' LEU . 62.6 mt -44.15 -59.55 2.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.8 -33.1 15.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.463 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 15.1 mmmt -75.88 -62.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 p -48.63 -40.99 29.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.11 -29.4 52.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.06 0.23 14.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.4 t30 71.23 42.77 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 mt -93.95 -21.78 18.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 18.9 m -68.93 128.66 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 63' ' ' SER . 80.6 p -124.25 154.64 39.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 62' ' ' THR . 40.4 t -35.01 -45.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.46 ' HA ' ' NE ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -66.48 -52.29 47.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.437 ' C ' ' O ' ' A' ' 64' ' ' ARG . 85.3 t80 -35.04 -54.6 0.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.563 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 25.4 m-85 -60.79 -64.22 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.7 mp -35.01 -47.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 14.2 mm-40 -71.12 -39.73 71.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 66' ' ' PHE . 8.2 ttt -62.84 -55.85 22.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -44.89 -43.49 8.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 6.1 pt-20 -75.83 -32.07 59.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 32.0 mttm -66.27 -30.1 70.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.44 ' CD1' HG23 ' A' ' 96' ' ' VAL . 4.2 pp -96.54 -36.44 10.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -57.33 -54.93 41.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -48.41 -56.16 8.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 77' ' ' LEU . 91.1 mt -41.01 -40.81 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 76' ' ' LEU . 32.0 tp -35.92 -38.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.519 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.8 pp0? -45.49 -49.7 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.519 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 6.6 m-20 -40.54 -39.18 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.456 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -79.92 -58.06 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.427 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 10.1 m170 -58.78 -11.09 2.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -84.43 -69.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.466 ' CZ ' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -94.88 -53.16 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.417 ' HB3' ' CG2' ' A' ' 89' ' ' VAL . 3.9 t -50.19 155.66 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' GLU . 1.1 m-20 -107.78 153.06 23.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 85' ' ' ASP . 24.9 p -35.12 -31.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ASP . 7.1 tp10 -66.33 -65.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.501 ' CD ' ' CD2' ' A' ' 33' ' ' LEU . 5.4 mm-40 -62.76 -43.44 98.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.421 HG12 ' CG2' ' A' ' 93' ' ' VAL . 35.2 t -54.14 -45.57 66.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.5 t -39.7 -38.8 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.558 ' CE2' HD11 ' A' ' 31' ' ' LEU . 25.7 t80 -64.79 -58.06 7.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 95' ' ' LEU . 20.6 mm -60.47 -53.91 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.421 ' CG2' HG12 ' A' ' 89' ' ' VAL . 10.5 t -37.51 -42.09 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -58.98 -44.09 91.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.558 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.6 mp -64.13 -63.85 1.04 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.44 HG23 ' CD1' ' A' ' 73' ' ' LEU . 4.0 p -45.03 -36.6 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -75.8 -63.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 101' ' ' ILE . 10.1 mttm -43.64 -48.63 7.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 15.3 tp -46.39 -40.37 11.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.3 mt -75.24 -23.32 57.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 98' ' ' LYS . 6.9 mt -84.53 -21.75 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.467 ' CG2' ' HG ' ' A' ' 18' ' ' LEU . 15.4 mt -86.22 -62.88 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.563 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 21.3 pt -53.87 -34.0 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 103' ' ' ILE . 22.1 p -34.19 117.45 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.63 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 3.7 ttt85 -49.92 -52.17 54.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.562 0.696 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 54.1 Cg_endo -69.71 -45.06 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 46.14 45.55 12.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -109.55 107.71 17.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.2 t -83.33 -51.6 7.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.829 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.93 83.87 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 147.96 64.22 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.0 m -75.58 -43.19 49.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.899 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.9 m 52.84 51.23 16.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.493 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -63.92 -58.21 7.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.883 0.373 . . . . 0.0 110.909 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 p -110.25 155.48 21.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.802 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.93 176.32 41.03 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 m -101.41 -47.68 4.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 m -106.99 102.76 12.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.28 -155.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 152.37 69.31 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.318 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -121.58 -45.79 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.13 -44.16 3.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 m -90.34 42.12 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.06 -60.29 2.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -46.34 -39.36 10.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.421 ' CE ' ' HA ' ' A' ' 103' ' ' ILE . 6.7 ttt -58.06 -57.03 14.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -47.23 -50.71 20.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.72 -41.1 12.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.0 mtt-85 -63.33 -57.57 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mt -39.68 -38.71 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -61.24 -51.33 69.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -65.62 -31.6 72.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -56.7 -45.58 81.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mt -78.09 -46.62 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.1 m -50.05 -25.91 3.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.51 -40.01 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.072 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.572 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 14.7 m-85 -112.72 76.79 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.81 124.13 29.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 111.094 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 116.93 4.78 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.682 2.254 . . . . 0.0 112.388 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.96 -32.09 4.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.09 -66.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.74 -25.62 2.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -124.4 -177.15 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.41 145.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.481 ' CD1' ' CD1' ' A' ' 38' ' ' LEU . 13.7 mt -101.35 -48.13 4.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.38 25.06 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.436 ' CG ' ' HB3' ' A' ' 38' ' ' LEU . 59.8 t0 -95.96 38.51 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.66 -117.23 0.62 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' PHE . 13.7 t -37.7 -69.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.172 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.481 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 2.1 tm? -36.67 -50.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.45 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -62.49 -37.66 95.05 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.414 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' VAL . 8.6 t80 -40.36 -34.13 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.461 ' CG1' ' HB2' ' A' ' 79' ' ' ASP . 14.1 mt -67.84 -60.69 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.543 ' CD2' HG21 ' A' ' 46' ' ' VAL . 18.0 t-160 -47.25 -44.24 22.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.82 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -66.23 -43.81 85.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.465 ' NE2' HD22 ' A' ' 76' ' ' LEU . 8.3 mt-30 -64.14 -63.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 48' ' ' LEU . 77.1 mt -46.03 -67.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.543 HG21 ' CD2' ' A' ' 42' ' ' HIS . 14.2 t -36.49 -45.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -65.18 -41.41 94.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 45' ' ' ILE . 16.6 mt -62.67 -51.87 65.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -45.09 -51.24 10.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -47.06 -53.52 12.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.2 -51.42 18.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.6 t -47.37 -55.1 9.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.8 mt -43.81 -62.7 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.13 -36.49 8.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.429 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 16.8 mmtp -69.16 -64.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.0 m -43.21 -42.8 4.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.0 -37.7 54.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -105.49 0.39 26.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 68.7 46.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.405 ' N ' HD21 ' A' ' 60' ' ' LEU . 5.9 mt -95.96 -24.95 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.429 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 18.9 m -65.34 123.98 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.155 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' SER . 44.7 p -123.88 161.28 25.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 62' ' ' THR . 22.2 p -35.1 -51.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' TYR . 5.0 tpt85 -58.61 -57.32 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 64' ' ' ARG . 61.6 t80 -35.32 -48.85 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.558 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 20.5 m-85 -69.0 -63.69 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.4 mp -35.17 -47.2 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -72.19 -51.37 21.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -47.88 -49.08 30.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -53.25 -45.3 68.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -71.16 -36.27 71.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -62.54 -41.71 99.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.453 HD13 ' CG2' ' A' ' 96' ' ' VAL . 3.8 pp -83.46 -43.16 16.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -48.87 -64.36 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -40.58 -57.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.465 HD22 ' NE2' ' A' ' 44' ' ' GLN . 83.9 mt -39.09 -40.61 0.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' A' ' 81' ' ' HIS . 32.3 tp -35.6 -41.42 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.533 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 5.1 pp0? -43.49 -48.52 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.533 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 5.2 m-20 -39.61 -38.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -82.9 -57.03 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.56 ' CE1' HD22 ' A' ' 77' ' ' LEU . 7.9 m170 -62.36 -7.95 5.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 78' ' ' GLN . 52.1 mm-40 -84.09 -62.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.15 -58.82 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.433 ' CB ' HD22 ' A' ' 38' ' ' LEU . 24.3 t -40.64 152.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 87' ' ' GLU . 8.5 t70 -97.77 157.79 15.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.0 p -40.12 -24.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 85' ' ' ASP . 2.9 mp0 -71.83 -66.34 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -63.5 -36.22 83.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.434 ' CG1' ' CD2' ' A' ' 81' ' ' HIS . 21.7 t -60.29 -38.61 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.6 t -50.61 -48.55 57.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -54.61 -62.38 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.453 ' CG2' HG21 ' A' ' 41' ' ' ILE . 20.4 mm -52.53 -48.86 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 49.9 t -42.67 -52.98 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -48.81 -45.35 40.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.572 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.8 mp -63.79 -72.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.453 ' CG2' HD13 ' A' ' 73' ' ' LEU . 6.0 p -38.58 -36.7 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -74.8 -64.51 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 101' ' ' ILE . 9.4 mttm -43.33 -51.09 6.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 31.0 tp -42.25 -46.14 4.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 12.2 mt -70.81 -27.18 63.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 98' ' ' LYS . 17.1 mt -77.45 -29.51 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.9 mt -81.02 -63.2 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.558 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 25.7 pt -51.27 -28.63 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.477 ' O ' ' C ' ' A' ' 105' ' ' ARG . 0.8 OUTLIER -40.38 119.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.542 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 10.2 tpp180 -31.15 -56.95 0.38 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.644 0.735 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.5 Cg_endo -69.78 -49.95 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 53.94 44.0 30.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.083 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.4 mtm-85 -81.8 146.06 30.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.2 t -68.22 -61.83 1.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -45.21 106.83 0.12 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 93.13 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.74 2.293 . . . . 0.0 112.292 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.7 t -79.54 -45.77 18.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.9 p 37.58 42.03 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 t -47.38 142.75 3.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.922 0.391 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -99.4 127.22 45.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.806 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.72 104.91 2.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.538 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.5 m -81.03 162.83 23.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.856 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p -52.46 143.35 15.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.36 93.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -163.5 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.719 2.28 . . . . 0.0 112.307 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -106.56 179.57 4.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.64 -41.96 67.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 p -49.94 -27.37 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.38 -60.57 3.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -58.41 -36.22 73.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' ARG . 5.6 ttt -62.83 -63.6 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -38.58 -48.18 1.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.37 -38.54 62.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' MET . 73.9 mtt-85 -64.56 -57.44 9.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.855 0.359 . . . . 0.0 110.82 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mt -39.91 -40.36 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -58.02 -54.38 47.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -65.1 -32.55 74.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -54.83 -44.35 73.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mt -78.02 -47.86 17.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.6 m -50.5 -26.1 4.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.39 -35.11 11.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.568 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 19.4 m-85 -114.3 69.31 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.415 ' CB ' ' HB1' ' A' ' 29' ' ' ALA . . . -110.76 121.87 39.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 100.28 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.727 2.285 . . . . 0.0 112.283 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 113.46 -33.75 5.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.415 ' HB1' ' CB ' ' A' ' 26' ' ' ALA . . . -46.57 -68.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 111.157 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.423 ' HD3' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -125.07 -21.12 4.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.542 HD13 ' CE2' ' A' ' 91' ' ' PHE . 1.3 pt? -127.33 177.44 6.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.08 121.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.472 HD11 ' CD1' ' A' ' 38' ' ' LEU . 69.5 mt -88.23 85.95 7.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.2 -37.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 33' ' ' LEU . 9.4 m-20 -43.67 149.07 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' VAL . . . -86.23 -95.44 0.82 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 40' ' ' PHE . 4.8 t -37.56 -64.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 111.133 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.472 ' CD1' HD11 ' A' ' 33' ' ' LEU . 1.5 tm? -35.7 -58.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 41' ' ' ILE . . . -56.1 -35.43 64.51 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.547 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 37' ' ' VAL . 6.1 t80 -40.74 -26.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.328 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' GLY . 10.1 mt -79.34 -55.17 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.549 ' CD2' HG23 ' A' ' 46' ' ' VAL . 21.0 t-160 -49.57 -50.07 43.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -62.29 -49.34 76.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 40' ' ' PHE . 15.0 mt-30 -56.73 -64.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.0 mt -48.23 -59.27 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.549 HG23 ' CD2' ' A' ' 42' ' ' HIS . 55.4 t -41.76 -35.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -75.23 -40.37 59.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.2 mt -60.45 -46.94 88.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.1 -52.86 23.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -47.26 -52.86 14.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -46.61 -48.22 19.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 55' ' ' LYS . 4.1 t -51.12 -62.58 1.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' CYS . 18.3 mt -36.48 -59.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.92 -38.56 61.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.472 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 21.3 mmtm -64.83 -60.86 2.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.0 m -49.38 -42.24 41.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.26 -37.41 59.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -107.22 10.14 29.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.0 m120 60.37 52.69 4.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.0 mt -103.41 -27.84 12.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 18.1 m -61.58 108.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 63' ' ' SER . 35.2 p -115.54 164.37 14.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 62' ' ' THR . 14.4 t -34.45 -62.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -49.02 -49.1 42.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.447 ' CZ ' ' HG3' ' A' ' 55' ' ' LYS . 35.7 t80 -43.49 -58.43 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.564 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.8 m-85 -63.79 -60.81 2.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' PHE . 14.1 mt -37.56 -53.33 1.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.48 -37.71 74.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -58.48 -37.98 76.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -69.68 -44.59 70.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -71.4 -26.59 62.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -72.97 -38.82 66.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 74' ' ' GLU . 3.8 pp -86.44 -46.65 10.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.471 ' N ' HD12 ' A' ' 73' ' ' LEU . 16.4 mt-10 -44.04 -61.11 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -44.23 -53.96 6.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 77' ' ' LEU . 85.8 mt -42.19 -40.39 2.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 76' ' ' LEU . 30.9 tp -35.97 -35.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.522 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.5 pp0? -49.24 -49.69 42.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.522 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 9.0 m-20 -41.02 -34.77 0.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.837 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.97 -59.7 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.425 ' CD2' ' CG1' ' A' ' 89' ' ' VAL . 8.0 m170 -60.82 -8.9 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' GLN . 11.1 mm-40 -82.84 -68.18 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.02 -51.7 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.4 ' CB ' HD21 ' A' ' 38' ' ' LEU . 4.7 t -45.94 152.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 87' ' ' GLU . 27.1 t0 -99.65 154.29 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.486 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 16.2 m -38.59 -26.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 85' ' ' ASP . 28.4 tt0 -69.39 -66.05 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.55 -37.52 87.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.425 ' CG1' ' CD2' ' A' ' 81' ' ' HIS . 17.9 t -58.3 -35.99 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.5 t -53.64 -47.81 69.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.542 ' CE2' HD13 ' A' ' 31' ' ' LEU . 31.2 t80 -55.16 -59.84 4.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.9 mm -56.09 -53.38 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.6 t -37.8 -46.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -53.84 -46.41 71.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.568 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.5 mp -62.83 -72.49 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 95' ' ' LEU . 5.3 p -36.36 -36.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -76.07 -66.69 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 101' ' ' ILE . 8.7 mttm -41.77 -49.86 4.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.6 tp -42.51 -47.61 5.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.58 -25.38 63.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 98' ' ' LYS . 6.7 mt -82.26 -18.99 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.8 mt -92.93 -63.17 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.564 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 28.9 pt -48.6 -26.29 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.9 m -62.47 112.53 2.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.62 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 4.7 ttt85 -48.94 -51.94 50.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.586 0.708 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.4 Cg_endo -69.83 168.95 20.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.697 2.264 . . . . 0.0 112.305 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -172.37 161.07 5.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -125.26 80.95 1.92 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.2 t -75.84 131.34 39.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 146.16 -169.97 27.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.67 5.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.677 2.251 . . . . 0.0 112.361 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.2 t -89.06 119.29 29.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 t -76.41 162.32 27.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -79.26 114.03 17.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t -121.93 -55.47 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.25 -103.49 2.17 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 m -83.35 -49.86 8.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.934 0.397 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 t 46.46 38.65 5.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.05 146.78 16.42 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 135.14 29.87 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.3 -32.04 6.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.35 -69.16 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.144 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 m -112.04 77.14 1.02 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.64 -58.97 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -38.23 -63.06 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.46 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -39.54 -63.44 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' N ' ' SD ' ' A' ' 14' ' ' MET . 20.5 mt-10 -37.38 -60.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.47 -40.91 3.9 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.431 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 18' ' ' LEU . 59.6 mtt-85 -64.12 -60.77 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.87 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 17' ' ' ARG . 9.5 mt -36.14 -38.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -60.52 -51.91 67.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 17' ' ' ARG . 8.9 tt0 -62.87 -30.1 71.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -61.04 -45.21 95.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.406 HD21 ' CB ' ' A' ' 49' ' ' ALA . 1.5 mt -75.94 -42.25 49.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.1 m -55.43 -22.28 19.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.55 -35.63 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.544 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 17.6 m-85 -118.2 92.54 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.76 129.85 23.48 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 149.07 66.51 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.711 2.274 . . . . 0.0 112.314 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.83 -48.39 1.97 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.535 ' O ' ' N ' ' A' ' 31' ' ' LEU . . . -57.58 -170.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.743 0.306 . . . . 0.0 111.108 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.504 ' HD3' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -31.21 -35.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.565 ' CD2' ' CE1' ' A' ' 42' ' ' HIS . 5.3 tp -95.71 133.88 39.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -173.71 139.74 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 34' ' ' ALA . 9.4 mt -118.48 109.46 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.05 -48.6 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.422 ' CG ' ' HB3' ' A' ' 38' ' ' LEU . 22.2 t0 -38.73 126.59 1.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.24 -82.27 0.2 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.453 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' PHE . 9.6 t -42.44 -64.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 111.108 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 37' ' ' VAL . 2.2 tm? -35.95 -53.25 0.76 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.77 -37.87 93.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.491 ' CD2' ' NE2' ' A' ' 44' ' ' GLN . 22.7 t80 -40.03 -29.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 110.878 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 79' ' ' ASP . 8.1 mt -74.94 -53.94 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.565 ' CE1' ' CD2' ' A' ' 31' ' ' LEU . 16.1 t-160 -51.67 -43.66 62.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -68.39 -43.07 78.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.491 ' NE2' ' CD2' ' A' ' 40' ' ' PHE . 14.2 mt-30 -65.03 -64.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.456 HD11 ' CG2' ' A' ' 41' ' ' ILE . 89.1 mt -45.56 -59.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.479 HG21 ' CD2' ' A' ' 42' ' ' HIS . 15.1 t -43.69 -41.23 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.71 -44.77 76.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.2 mt -60.64 -34.82 74.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.406 ' CB ' HD21 ' A' ' 22' ' ' LEU . . . -60.48 -49.45 77.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -50.83 -50.02 57.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -51.31 -47.92 62.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.8 t -50.59 -48.14 57.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 20.4 mt -50.8 -62.62 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.19 -34.77 6.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.429 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 17.4 mmtp -69.24 -56.59 7.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.45 ' HB3' ' CG ' ' A' ' 15' ' ' GLU . 3.5 m -50.11 -41.55 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.435 ' N ' ' OE2' ' A' ' 15' ' ' GLU . . . -55.53 -41.2 80.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.416 ' HB2' ' CD2' ' A' ' 60' ' ' LEU . 3.3 mt-10 -99.13 -2.29 37.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 110.883 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 69.42 50.17 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.416 ' CD2' ' HB2' ' A' ' 58' ' ' GLU . 5.0 mt -99.47 -22.42 15.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.429 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 28.7 m -68.29 116.59 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 63' ' ' SER . 73.6 p -122.31 164.7 17.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.147 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 62' ' ' THR . 44.3 t -34.91 -51.83 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 65' ' ' TYR . 9.9 tpt180 -60.26 -57.39 12.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.421 ' C ' ' O ' ' A' ' 64' ' ' ARG . 29.0 t80 -35.9 -56.07 0.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.46 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 22.7 m-85 -59.88 -59.23 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PHE . 3.5 mt -37.3 -60.83 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -57.04 -50.83 71.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -49.55 -34.91 18.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -70.02 -45.79 66.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.95 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -70.04 -27.09 64.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -75.2 -38.66 60.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 74' ' ' GLU . 4.3 pp -84.84 -34.3 22.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.419 ' N ' HD12 ' A' ' 73' ' ' LEU . 12.3 mt-10 -58.92 -56.96 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -48.75 -55.13 12.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 77' ' ' LEU . 95.7 mt -41.94 -39.97 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.464 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 32.3 tp -36.28 -39.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.541 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 5.2 pp0? -44.34 -48.2 9.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.541 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 5.4 m-20 -39.7 -39.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.456 ' CB ' HG11 ' A' ' 89' ' ' VAL . . . -84.43 -55.89 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.105 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.464 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 10.8 m170 -60.45 -9.43 3.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 78' ' ' GLN . 12.2 mt-10 -86.29 -63.04 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -101.2 -65.64 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 83' ' ' ARG . 8.8 t -35.67 148.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 87' ' ' GLU . 10.7 m-20 -95.47 152.47 18.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 85' ' ' ASP . 13.6 t -32.48 -35.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -64.83 -66.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.429 ' CB ' ' OG ' ' A' ' 84' ' ' SER . 17.1 mp0 -59.86 -38.74 83.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.456 HG11 ' CB ' ' A' ' 80' ' ' ALA . 6.5 t -64.38 -35.86 75.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.6 m -55.81 -25.95 44.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.554 ' CZ ' HD12 ' A' ' 31' ' ' LEU . 78.8 t80 -76.1 -54.02 7.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.6 mm -62.31 -48.64 87.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.7 t -39.86 -41.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -57.96 -45.59 86.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.544 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.6 mp -61.88 -68.85 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.6 p -41.22 -36.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -73.58 -61.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 101' ' ' ILE . 12.5 mttm -45.07 -53.61 7.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.6 tp -40.78 -41.26 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.4 HD22 ' CD2' ' A' ' 73' ' ' LEU . 34.6 mt -73.59 -31.23 63.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.49 ' N ' ' O ' ' A' ' 98' ' ' LYS . 8.6 mt -77.95 -20.78 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.5 mt -90.49 -58.4 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.46 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 12.4 pt -57.25 -29.08 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.6 m -60.92 109.93 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.63 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 6.3 ttm180 -44.48 -52.12 18.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.598 0.713 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 54.5 Cg_endo -69.72 168.09 22.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.717 2.278 . . . . 0.0 112.381 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -171.59 165.59 6.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -127.89 -55.17 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.1 m 60.54 39.88 17.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -94.76 -157.92 32.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.524 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 90.29 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.7 t -113.08 123.9 51.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.1 t -76.98 -54.18 6.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -106.14 -57.23 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 0.0 110.828 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.8 p -44.15 138.85 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.832 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.59 148.42 0.64 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -146.45 141.72 27.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.826 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.57 109.44 7.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.45 174.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.445 ' HB2' ' CB ' ' A' ' 12' ' ' ALA . 53.5 Cg_endo -69.81 -167.77 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -86.12 -179.85 6.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.6 -37.63 82.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.054 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.3 m -96.91 30.16 2.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.195 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.445 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . . . -58.46 -61.73 2.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' ALA . 39.6 tt0 -37.73 -56.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' GLU . 6.0 ttt -46.25 -61.24 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' MET . 43.4 mt-10 -38.31 -59.31 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -40.78 -37.35 1.3 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -67.69 -60.73 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.825 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mt -40.43 -33.08 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -64.08 -49.61 71.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -64.75 -30.05 71.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -60.58 -49.29 78.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.402 HD23 ' CB ' ' A' ' 49' ' ' ALA . 1.7 mt -72.8 -43.58 62.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.44 ' O ' ' NH2' ' A' ' 30' ' ' ARG . 90.0 m -56.26 -21.6 24.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.35 -28.32 12.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.566 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 20.9 m-85 -122.48 87.5 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.19 127.68 21.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 111.076 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 135.34 30.19 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.21 -48.69 2.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.63 -51.62 27.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.44 ' NH2' ' O ' ' A' ' 23' ' ' THR . 2.5 mtt-85 -115.79 -70.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.561 HD11 ' CZ ' ' A' ' 91' ' ' PHE . 2.5 pt? -119.23 176.81 5.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.92 146.01 10.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.471 HD11 ' CD1' ' A' ' 38' ' ' LEU . 21.3 mt -107.12 120.48 42.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.87 19.8 5.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.048 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.484 ' OD2' ' CB ' ' A' ' 38' ' ' LEU . 39.1 t0 -77.21 -4.11 43.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 37' ' ' VAL . . . 75.22 -116.02 4.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.438 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.413 HG13 ' CG ' ' A' ' 79' ' ' ASP . 2.3 t -36.81 -59.38 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 111.096 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.484 ' CB ' ' OD2' ' A' ' 35' ' ' ASP . 1.7 tm? -45.08 -42.77 8.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.15 -29.12 72.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -54.63 -24.43 21.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.469 HD12 ' N ' ' A' ' 80' ' ' ALA . 7.1 mt -75.23 -49.96 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.559 ' CD2' HG22 ' A' ' 46' ' ' VAL . 16.5 t-160 -53.66 -49.65 67.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -60.73 -44.17 96.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -62.13 -58.92 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' LEU . 63.7 mt -52.58 -61.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.559 HG22 ' CD2' ' A' ' 42' ' ' HIS . 22.0 t -41.33 -35.35 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.29 -36.95 53.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.5 mt -64.64 -45.43 86.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' CB ' HD23 ' A' ' 22' ' ' LEU . . . -51.95 -47.22 64.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.072 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 43.1 mtp85 -50.17 -50.52 48.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -49.17 -46.87 46.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.5 t -52.19 -49.35 64.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.5 mt -54.06 -56.45 17.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.7 -37.52 63.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.459 ' HE2' ' CE1' ' A' ' 65' ' ' TYR . 26.0 mmtm -66.62 -62.73 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.2 t -49.52 -42.77 44.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -52.43 -24.44 16.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -119.83 -0.61 10.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 t30 73.57 39.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 mt -90.97 -24.47 20.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 21.0 m -68.35 121.68 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.145 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 63' ' ' SER . 62.1 p -120.25 156.73 30.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 62' ' ' THR . 32.0 t -36.19 -44.02 0.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 65' ' ' TYR . 11.5 tpp180 -68.72 -51.86 36.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.459 ' CE1' ' HE2' ' A' ' 55' ' ' LYS . 86.3 t80 -35.54 -53.89 0.68 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 69' ' ' MET . 23.5 m-85 -61.09 -60.05 4.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.45 ' N ' HD22 ' A' ' 67' ' ' LEU . 3.5 mm? -34.32 -54.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -66.18 -37.53 85.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 66' ' ' PHE . 19.8 ttt -63.28 -33.54 75.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -68.57 -32.91 73.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -84.26 -26.74 28.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -73.48 -29.05 62.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.0 pp -94.39 -42.24 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.967 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -55.27 -57.1 13.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -45.68 -55.34 6.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 77' ' ' LEU . 95.9 mt -42.58 -41.42 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.503 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 26.4 tp -35.78 -35.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.474 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.2 pp0? -47.49 -52.14 18.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.474 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 9.9 m-20 -43.51 -29.53 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.469 ' N ' HD12 ' A' ' 41' ' ' ILE . . . -88.75 -55.42 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.083 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.503 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 13.1 m170 -62.65 -7.78 5.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -86.0 -61.48 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.485 ' O ' ' C ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -102.16 -73.39 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 83' ' ' ARG . 5.1 p -31.11 144.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.6 OUTLIER -94.69 158.43 15.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 85' ' ' ASP . 40.8 t -36.24 -28.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 85' ' ' ASP . 3.0 tp10 -71.16 -60.73 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -65.54 -29.26 69.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 90' ' ' SER . 15.7 t -65.17 -48.43 83.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.161 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 89' ' ' VAL . 8.6 t -36.93 -48.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.561 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 10.2 t80 -52.58 -66.98 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 93' ' ' VAL . 5.4 mm -54.7 -57.97 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 92' ' ' ILE . 7.7 t -35.79 -51.05 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.062 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -51.43 -47.19 63.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.1 mp -63.7 -70.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 95' ' ' LEU . 3.0 p -36.1 -37.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.7 ttm-85 -77.85 -61.79 1.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 101' ' ' ILE . 27.4 mttp -44.07 -48.89 8.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.4 tp -45.02 -44.99 10.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.2 mt -71.17 -24.2 62.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 98' ' ' LYS . 10.0 mt -80.67 -19.25 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.6 mt -93.87 -63.05 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 6.2 pt -50.35 -30.8 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.161 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.0 m -50.58 110.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.626 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 2.2 tmt_? -49.08 -52.49 47.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.3 Cg_endo -69.77 83.21 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -147.33 145.71 29.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -146.04 113.12 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.4 t -48.71 -60.03 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.46 95.0 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 0.82 5.09 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.2 m -115.76 144.6 43.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.5 m -96.53 -50.18 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 m -139.94 131.74 27.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.866 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 t -151.33 169.86 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.81 84.34 0.14 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 6' ' ' SER . 35.5 p -57.26 -50.79 71.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.866 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 5' ' ' SER . 78.6 p 35.59 42.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.856 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.75 124.17 4.1 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 116.93 4.79 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.661 2.241 . . . . 0.0 112.316 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -103.55 45.61 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -167.61 116.33 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 47.9 46.8 18.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.28 -56.11 3.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -41.16 -58.52 1.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.8 ttp -42.04 -55.58 3.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -44.64 -57.39 3.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.59 -40.52 11.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -63.35 -55.74 22.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.413 ' HG ' ' CG2' ' A' ' 102' ' ' ILE . 3.9 mt -46.89 -32.34 3.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -63.9 -56.85 12.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -59.72 -31.47 69.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -55.98 -46.77 78.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mt -75.31 -46.35 33.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.0 m -52.21 -23.29 5.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.46 -30.68 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.429 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 19.2 m-85 -123.09 100.65 6.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -149.17 138.22 12.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.554 0.692 . . . . 0.0 111.102 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 128.48 16.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.301 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 29' ' ' ALA . . . 75.54 -58.73 2.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.528 ' CB ' ' NH1' ' A' ' 30' ' ' ARG . . . -34.86 -63.51 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.781 0.324 . . . . 0.0 111.077 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.528 ' NH1' ' CB ' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -100.37 -64.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.429 HD12 ' CE2' ' A' ' 91' ' ' PHE . 2.0 pt? -121.72 -176.96 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.03 130.9 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 35' ' ' ASP . 33.8 mt -100.78 96.68 7.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.54 -26.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 33' ' ' LEU . 7.8 t0 -55.09 136.97 47.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.827 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.17 -83.51 0.58 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.453 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.415 HG12 ' CG ' ' A' ' 79' ' ' ASP . 4.5 t -46.09 -61.05 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 111.107 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.408 HD23 ' CB ' ' A' ' 84' ' ' SER . 2.3 tm? -39.96 -47.39 2.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' ILE . . . -64.48 -39.63 97.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.446 ' CD2' ' NE2' ' A' ' 44' ' ' GLN . 40.5 t80 -40.6 -24.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.475 HD13 ' N ' ' A' ' 80' ' ' ALA . 6.4 mt -81.44 -49.78 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.463 ' CD2' HG23 ' A' ' 46' ' ' VAL . 13.0 t-160 -55.79 -47.88 76.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -62.47 -46.33 88.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.446 ' NE2' ' CD2' ' A' ' 40' ' ' PHE . 14.7 mt-30 -59.36 -66.78 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' LEU . 96.6 mt -45.26 -67.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.463 HG23 ' CD2' ' A' ' 42' ' ' HIS . 17.5 t -37.21 -38.85 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -74.01 -39.99 63.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 45' ' ' ILE . 13.2 mt -61.92 -52.36 64.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.16 -47.02 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.058 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.4 mtp85 -48.05 -51.0 26.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.08 -48.91 43.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 t -51.23 -47.77 62.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.4 mt -53.22 -59.54 4.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.04 -35.77 59.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.44 ' CB ' HG12 ' A' ' 61' ' ' VAL . 25.6 mmtm -69.63 -67.37 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.3 t -44.69 -40.22 5.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.05 -35.23 53.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.448 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -111.08 8.43 21.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 65.32 46.22 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mt -96.86 -21.06 17.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.44 HG12 ' CB ' ' A' ' 55' ' ' LYS . 26.5 m -73.75 128.12 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' SER . 43.8 p -129.34 165.87 20.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 62' ' ' THR . 13.2 t -36.72 -58.61 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 65' ' ' TYR . 7.9 tpt180 -53.61 -56.89 13.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.435 ' C ' ' O ' ' A' ' 64' ' ' ARG . 85.1 t80 -35.01 -52.2 0.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.478 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 23.6 m-85 -67.86 -61.04 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.6 mp -34.75 -49.67 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -72.59 -52.87 13.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.6 ttt -44.71 -41.32 6.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -61.53 -45.84 92.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -72.52 -26.43 61.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -73.36 -35.83 66.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.436 ' CD1' HG23 ' A' ' 96' ' ' VAL . 4.3 pp -90.41 -36.98 14.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -56.52 -61.37 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -41.81 -52.4 4.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 77' ' ' LEU . 71.0 mt -43.48 -43.69 5.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.459 ' CD1' HG11 ' A' ' 96' ' ' VAL . 17.4 tp -36.14 -34.3 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.534 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 5.0 pp0? -48.13 -51.17 25.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.534 ' CG ' ' NE2' ' A' ' 78' ' ' GLN . 4.8 m-20 -40.44 -38.7 0.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.475 ' N ' HD13 ' A' ' 41' ' ' ILE . . . -78.66 -58.79 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -61.34 -8.18 3.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' GLN . 2.8 mm-40 -85.6 -54.28 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -112.8 -63.59 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 83' ' ' ARG . 23.1 t -37.18 155.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 87' ' ' GLU . 23.7 m-20 -102.85 152.48 21.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.7 p -38.59 -26.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 85' ' ' ASP . 7.4 pt-20 -69.32 -56.91 6.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.464 ' OE1' ' CD2' ' A' ' 33' ' ' LEU . 17.9 mm-40 -73.48 -30.45 63.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.446 HG12 ' CG2' ' A' ' 93' ' ' VAL . 16.2 t -59.25 -48.22 87.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 89' ' ' VAL . 18.5 t -37.21 -50.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.804 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.429 ' CE2' HD12 ' A' ' 31' ' ' LEU . 21.9 t80 -52.57 -67.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 93' ' ' VAL . 4.7 mm -52.83 -57.09 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.446 ' CG2' HG12 ' A' ' 89' ' ' VAL . 4.1 t -36.18 -49.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -53.42 -48.17 68.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.429 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.5 mp -59.17 -69.2 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.459 HG11 ' CD1' ' A' ' 77' ' ' LEU . 2.7 p -39.54 -38.44 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.443 ' CG ' HD12 ' A' ' 101' ' ' ILE . 4.7 ttt180 -73.07 -66.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 101' ' ' ILE . 12.9 mttm -40.18 -54.47 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.9 tp -40.09 -45.43 1.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.8 mt -71.0 -32.4 69.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 98' ' ' LYS . 3.0 mt -73.94 -23.44 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.413 ' CG2' ' HG ' ' A' ' 18' ' ' LEU . 12.8 mt -87.89 -60.85 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.478 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 6.2 pt -53.59 -27.55 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.429 ' C ' ' HD2' ' A' ' 106' ' ' PRO . 60.9 p -50.09 113.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.628 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 1.6 tmt_? -40.04 -52.44 5.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.559 0.695 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.628 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 54.2 Cg_endo -69.72 114.63 3.76 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -170.86 122.51 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.0 mmt-85 -124.67 176.49 6.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.9 t -99.03 -50.61 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.43 73.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 97.28 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.744 2.296 . . . . 0.0 112.302 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.8 m -110.13 121.01 44.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 51.0 p -69.01 -49.45 57.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.829 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -157.46 140.33 15.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m -113.28 112.03 23.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.16 -115.04 4.22 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -161.56 112.19 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.847 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -59.13 169.25 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.814 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.88 132.45 11.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 105.54 1.5 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -88.73 -53.86 4.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.95 -21.61 13.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 p -78.21 -26.35 47.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -47.79 -70.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.457 ' CG ' ' N ' ' A' ' 14' ' ' MET . 9.4 pt20 -50.71 -46.86 59.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.457 ' N ' ' CG ' ' A' ' 13' ' ' GLN . 4.8 ttt -49.76 -56.97 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -46.48 -48.56 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.05 -29.44 35.64 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -72.43 -61.27 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mt -37.49 -34.93 0.11 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -62.86 -55.69 24.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -61.61 -31.57 71.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -56.47 -47.25 79.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.83 -47.12 26.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.5 m -49.75 -23.25 1.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.81 -32.9 10.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.57 ' CD2' ' HG ' ' A' ' 95' ' ' LEU . 17.4 m-85 -113.66 71.56 0.75 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.3 120.5 36.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 122.53 9.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.29 -31.19 4.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.13 -68.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 0.0 111.07 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.456 ' HD3' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -125.4 -23.51 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' N ' ' HD3' ' A' ' 30' ' ' ARG . 1.2 pt? -128.2 -179.96 5.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.14 142.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.441 HD12 ' CD1' ' A' ' 38' ' ' LEU . 25.9 mt -104.92 111.97 24.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.43 -17.98 64.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 36' ' ' GLY . 8.1 t70 -47.04 169.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 35' ' ' ASP . . . -86.19 -121.27 1.24 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.499 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' PHE . 0.4 OUTLIER -44.18 -38.35 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 111.12 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.471 ' C ' ' CD1' ' A' ' 38' ' ' LEU . 2.4 tm? -37.1 -54.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.78 -36.53 55.3 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 37' ' ' VAL . 4.9 t80 -45.34 -31.59 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.471 HD13 ' N ' ' A' ' 80' ' ' ALA . 12.2 mt -74.5 -57.12 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -48.14 -48.99 33.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -63.26 -47.55 81.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -57.12 -60.25 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 84.5 mt -50.83 -64.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.2 t -40.73 -41.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -68.91 -42.42 76.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.7 mt -60.75 -55.15 36.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.966 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.2 -49.17 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 -47.84 -51.47 22.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.76 -43.94 38.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.9 t -51.52 -62.35 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.3 mt -43.82 -58.9 2.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.52 -26.6 5.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.157 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.472 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 25.1 mmtm -84.44 -61.55 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.7 t -48.23 -34.89 10.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.48 -35.76 89.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -108.03 5.54 26.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 66.82 47.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mt -100.17 -12.5 19.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 55' ' ' LYS . 35.5 m -82.67 122.47 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 63' ' ' SER . 68.0 p -123.39 162.87 21.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 62' ' ' THR . 4.5 t -34.64 -57.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' TYR . 17.3 tpp180 -54.1 -55.96 22.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 64' ' ' ARG . 76.3 t80 -35.36 -61.65 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.462 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 23.2 m-85 -56.48 -64.09 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.6 mp -34.47 -53.57 0.52 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.41 -40.85 89.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 66' ' ' PHE . 13.7 ttt -57.84 -43.82 86.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -59.74 -63.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -52.18 -30.05 25.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -68.64 -59.35 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.484 HD13 ' N ' ' A' ' 74' ' ' GLU . 2.2 pp -66.78 -53.96 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.484 ' N ' HD13 ' A' ' 73' ' ' LEU . 26.5 mt-10 -43.06 -57.27 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -43.88 -54.81 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 77' ' ' LEU . 71.7 mt -40.76 -39.14 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.543 HD23 ' CE1' ' A' ' 81' ' ' HIS . 34.4 tp -35.88 -37.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.446 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.1 pp0? -46.08 -48.96 16.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.46 ' HB2' ' CD1' ' A' ' 41' ' ' ILE . 8.7 m-20 -45.26 -40.84 7.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.471 ' N ' HD13 ' A' ' 41' ' ' ILE . . . -77.94 -55.75 5.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.543 ' CE1' HD23 ' A' ' 77' ' ' LEU . 13.7 m170 -60.7 -9.18 3.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -87.55 -67.81 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -95.28 -68.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.464 ' CB ' HD21 ' A' ' 38' ' ' LEU . 41.1 t -33.15 141.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' GLU . 19.0 t70 -89.17 152.86 21.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 85' ' ' ASP . 87.1 p -36.36 -30.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ASP . 4.4 tm-20 -65.09 -60.46 3.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -68.47 -42.72 78.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.494 HG13 ' CD2' ' A' ' 81' ' ' HIS . 58.6 t -53.21 -47.22 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -42.89 -42.68 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -59.9 -68.89 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.0 mm -47.74 -49.41 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.2 t -41.46 -47.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -53.6 -46.17 70.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.57 ' HG ' ' CD2' ' A' ' 25' ' ' TYR . 4.3 mp -63.34 -70.34 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 95' ' ' LEU . 5.6 p -36.14 -37.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -77.22 -61.07 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 101' ' ' ILE . 27.5 mttp -45.38 -52.22 10.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.46 ' CD2' HD22 ' A' ' 73' ' ' LEU . 14.8 tp -44.89 -36.5 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.6 mt -78.02 -27.51 48.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' LYS . 12.3 mt -79.65 -16.63 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.5 mt -95.99 -62.69 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.462 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 16.0 pt -48.75 -29.7 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 m -53.0 113.39 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.62 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -52.38 -52.1 66.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.601 0.715 . . . . 0.0 110.909 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 54.0 Cg_endo -69.77 136.95 34.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 0.0 112.363 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -174.29 156.42 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.4 mmm-85 -148.8 158.27 44.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.3 m -110.61 129.22 55.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 167.7 146.68 5.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 96.0 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.9 t -47.39 107.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.8 p -61.68 153.2 28.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.9 ttp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.729 0.3 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -45.37 -58.23 3.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.99 -37.03 0.93 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.569 ' HB2' HG23 ' A' ' 102' ' ' ILE . 42.8 mtp85 -64.49 -60.69 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.854 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.647 ' HG ' HG21 ' A' ' 102' ' ' ILE . 3.1 mt -44.51 -31.92 1.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -63.95 -47.73 79.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -68.53 -28.75 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -57.81 -47.6 82.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.638 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.5 mt -74.98 -43.97 50.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.9 m -54.27 -22.28 11.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.75 -28.89 12.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.652 ' HB3' HD21 ' A' ' 95' ' ' LEU . 21.2 m-85 -123.75 92.84 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.63 125.17 22.21 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.572 0.701 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.596 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.777 HG11 ' HD3' ' A' ' 83' ' ' ARG . 5.0 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.881 0.372 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.836 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.6 tm? -37.22 -47.06 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 41' ' ' ILE . . . -62.32 -36.41 93.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 37' ' ' VAL . 14.4 t80 -45.39 -21.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.595 HD11 ' HB2' ' A' ' 79' ' ' ASP . 6.2 mt -82.63 -49.33 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.482 ' O ' HG23 ' A' ' 46' ' ' VAL . 4.8 t60 -56.83 -41.24 77.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -69.51 -44.4 71.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.484 ' OE1' HD22 ' A' ' 76' ' ' LEU . 71.0 mt-30 -63.0 -64.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.571 HG23 HD22 ' A' ' 99' ' ' LEU . 83.8 mt -47.07 -65.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.596 HG21 ' HD3' ' A' ' 27' ' ' PRO . 39.1 t -37.28 -41.5 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -71.04 -42.69 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' ILE . 13.0 mt -58.62 -39.86 81.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.638 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -55.52 -52.54 63.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -44.36 -47.91 9.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.74 -49.77 64.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.1 t -49.51 -51.75 34.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.1 mt -50.62 -59.63 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.32 -32.74 50.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.716 ' CB ' HG13 ' A' ' 61' ' ' VAL . 43.6 mmtt -71.01 -66.14 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.4 m -46.01 -40.66 10.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.0 -34.72 52.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -111.85 9.97 20.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.442 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 0.5 OUTLIER 63.94 44.28 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.425 ' N ' HD23 ' A' ' 60' ' ' LEU . 5.3 mt -93.93 -20.83 19.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.716 HG13 ' CB ' ' A' ' 55' ' ' LYS . 32.5 m -75.15 128.27 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.6 p -131.56 174.21 10.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -44.33 -59.69 2.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 65' ' ' TYR . 8.7 tpp180 -52.85 -54.1 39.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.479 ' CE2' HG12 ' A' ' 61' ' ' VAL . 55.5 t80 -36.15 -59.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.426 ' O ' ' C ' ' A' ' 67' ' ' LEU . 21.2 m-85 -61.66 -61.95 2.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.5 mp -35.19 -49.42 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -75.36 -40.61 57.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.404 ' O ' HD23 ' A' ' 73' ' ' LEU . 18.3 ttt -59.44 -27.3 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -73.36 -45.67 53.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -72.42 -24.88 61.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -73.68 -36.23 65.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.914 HD22 HD23 ' A' ' 99' ' ' LEU . 4.1 pp -90.34 -40.83 11.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.675 ' N ' HD12 ' A' ' 73' ' ' LEU . 17.8 mt-10 -53.7 -56.76 14.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -46.22 -51.6 14.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.484 HD22 ' OE1' ' A' ' 44' ' ' GLN . 96.5 mt -43.54 -41.77 4.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.873 HD13 HG11 ' A' ' 96' ' ' VAL . 28.3 tp -36.19 -33.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.551 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.6 pp0? -49.59 -48.9 48.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.708 ' OD1' HG13 ' A' ' 37' ' ' VAL . 7.5 m-20 -42.71 -37.33 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.889 ' HB1' HG22 ' A' ' 89' ' ' VAL . . . -80.31 -56.38 4.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.746 ' CD2' HG11 ' A' ' 89' ' ' VAL . 8.4 m170 -65.46 -7.75 15.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 78' ' ' GLN . 28.5 mm-40 -82.26 -63.19 1.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.777 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -101.81 -76.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' ARG . 2.6 m -37.55 156.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 86' ' ' SER . 1.8 m-20 -98.67 158.91 15.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 85' ' ' ASP . 48.0 p -36.51 -35.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -60.39 -55.52 32.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -71.07 -36.02 72.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.889 HG22 ' HB1' ' A' ' 80' ' ' ALA . 91.6 t -66.9 -38.23 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.9 t -43.71 -45.07 6.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -59.37 -54.3 48.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 95' ' ' LEU . 7.3 mm -59.88 -55.95 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.777 HG23 HG12 ' A' ' 89' ' ' VAL . 15.4 t -35.89 -53.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -47.53 -42.24 22.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.652 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.6 mp -67.96 -69.07 0.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.873 HG11 HD13 ' A' ' 77' ' ' LEU . 2.7 p -39.13 -41.11 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -75.83 -59.29 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -43.39 -51.64 6.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.914 HD23 HD22 ' A' ' 73' ' ' LEU . 40.9 tp -47.08 -41.14 16.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.79 HD21 HD11 ' A' ' 73' ' ' LEU . 19.7 mt -71.66 -26.41 62.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 16.7 mt -77.46 -22.62 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.647 HG21 ' HG ' ' A' ' 18' ' ' LEU . 9.8 mt -88.57 -58.61 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.118 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.613 HG23 ' O ' ' A' ' 99' ' ' LEU . 5.2 pt -56.05 -32.55 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 54.2 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -179.919 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.52 ' SD ' HD12 ' A' ' 18' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.769 0.318 . . . . 0.0 110.864 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.494 ' N ' ' SD ' ' A' ' 14' ' ' MET . 25.3 mt-10 -37.72 -61.8 0.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.27 -36.06 1.99 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' GLU . 66.3 mtp180 -65.95 -69.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 0.0 110.822 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.782 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.5 mt -36.04 -38.77 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.497 ' OE1' HD13 ' A' ' 53' ' ' LEU . 12.8 mm-40 -59.71 -47.57 85.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' ARG . 15.9 tt0 -73.82 -27.95 61.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -56.1 -39.86 72.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.593 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.0 OUTLIER -81.03 -43.57 19.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 51.2 m -53.73 -24.4 14.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.05 -31.6 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.777 ' HB3' HD21 ' A' ' 95' ' ' LEU . 20.3 m-85 -117.41 75.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.965 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.16 128.93 25.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.766 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.625 2.216 . . . . 0.0 112.362 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.689 HG13 ' OD1' ' A' ' 79' ' ' ASP . 9.3 t . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.855 0.359 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' A' ' 80' ' ' ALA . 1.8 tm? -43.42 -56.71 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.459 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -56.61 -39.58 85.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 39' ' ' GLY . 11.6 t80 -36.8 -31.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.913 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.589 HD11 ' N ' ' A' ' 80' ' ' ALA . 14.5 mt -73.36 -58.28 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.51 ' HB2' HD12 ' A' ' 92' ' ' ILE . 9.2 t-160 -48.28 -50.75 28.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -58.92 -48.85 80.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.461 ' OE1' HD22 ' A' ' 76' ' ' LEU . 58.3 mt-30 -57.66 -62.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.623 HG23 HD22 ' A' ' 99' ' ' LEU . 84.1 mt -47.89 -59.25 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.766 HG21 ' HD3' ' A' ' 27' ' ' PRO . 13.6 t -39.68 -42.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.75 -47.27 72.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . 11.5 mt -56.69 -59.53 4.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.593 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -37.35 -50.65 1.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -47.02 -52.51 14.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -49.05 -54.05 17.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.52 ' SG ' HG22 ' A' ' 103' ' ' ILE . 5.0 t -42.47 -59.31 1.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.782 HD21 ' HB2' ' A' ' 18' ' ' LEU . 49.6 mt -45.27 -59.54 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.79 -33.19 15.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.761 ' CB ' HG13 ' A' ' 61' ' ' VAL . 24.4 mmtm -72.83 -64.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 87.4 p -42.25 -37.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.52 -39.77 75.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -106.11 1.55 26.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.429 ' C ' HD23 ' A' ' 60' ' ' LEU . 14.9 m120 71.04 51.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' ' 59' ' ' ASN . 5.1 mt -107.2 6.23 28.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.77 HG12 ' CD2' ' A' ' 65' ' ' TYR . 3.3 m -105.15 115.54 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' SER . 71.0 p -122.26 169.15 11.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.17 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 62' ' ' THR . 2.6 t -34.79 -58.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -51.61 -59.28 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.77 ' CD2' HG12 ' A' ' 61' ' ' VAL . 48.9 t80 -38.48 -44.86 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.581 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.9 m-85 -71.24 -62.88 1.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 mp -38.5 -52.17 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -66.47 -39.62 88.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.7 ttt -61.47 -36.29 80.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.407 ' HA ' HD21 ' A' ' 100' ' ' LEU . 13.9 mt-30 -66.03 -42.03 90.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.65 -36.1 73.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -63.25 -42.74 99.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.863 HD22 HD23 ' A' ' 99' ' ' LEU . 4.1 pp -81.63 -43.99 17.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.746 ' N ' HD12 ' A' ' 73' ' ' LEU . 13.5 mt-10 -48.97 -62.24 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -42.08 -56.37 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.461 HD22 ' OE1' ' A' ' 44' ' ' GLN . 93.5 mt -42.03 -41.71 2.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.862 HD13 HG11 ' A' ' 96' ' ' VAL . 30.6 tp -36.09 -38.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.954 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.542 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 5.2 pp0? -45.84 -48.35 15.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.689 ' OD1' HG13 ' A' ' 37' ' ' VAL . 5.7 m-20 -41.06 -39.57 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.589 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -80.67 -57.09 3.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.547 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 9.4 m170 -58.35 -11.17 2.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -83.0 -66.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.476 ' NH2' HG21 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -99.62 -56.13 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.508 ' HB3' HG22 ' A' ' 89' ' ' VAL . 16.6 t -44.94 146.37 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.823 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 87' ' ' GLU . 1.4 m-20 -102.09 154.43 18.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 85' ' ' ASP . 85.6 p -33.73 -34.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.9 pm0 -63.51 -50.79 68.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' ASP . 47.7 mt-10 -79.57 -46.35 17.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.809 HG12 HG23 ' A' ' 93' ' ' VAL . 22.0 t -49.9 -30.89 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.3 t -56.36 -38.71 71.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -62.79 -60.25 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.51 HD12 ' HB2' ' A' ' 42' ' ' HIS . 19.4 mm -59.14 -55.13 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.809 HG23 HG12 ' A' ' 89' ' ' VAL . 16.0 t -35.91 -49.94 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -52.26 -47.89 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.777 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.6 mp -62.83 -71.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.862 HG11 HD13 ' A' ' 77' ' ' LEU . 6.3 p -36.11 -36.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' A' ' 98' ' ' LYS . 8.3 ttt180 -77.48 -64.29 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 101' ' ' ILE . 25.4 mttp -41.23 -52.04 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.863 HD23 HD22 ' A' ' 73' ' ' LEU . 29.3 tp -43.57 -43.72 5.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.794 HD21 HD11 ' A' ' 73' ' ' LEU . 15.2 mt -72.64 -25.45 61.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' LYS . 11.3 mt -81.86 -19.33 10.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.507 HG21 ' HG ' ' A' ' 18' ' ' LEU . 17.2 mt -91.15 -63.12 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.581 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 32.4 pt -47.66 -35.15 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 103' ' ' ILE . 2.9 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.7 ttt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.762 0.315 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.522 ' O ' HD21 ' A' ' 53' ' ' LEU . 17.4 mt-10 -47.66 -57.17 5.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.44 -35.22 3.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.546 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 20' ' ' GLU . 55.7 mtp85 -68.34 -64.05 0.94 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.868 0.366 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' ARG . 5.5 mt -36.85 -40.32 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.74 ' OE1' HD13 ' A' ' 53' ' ' LEU . 13.0 mm-40 -61.07 -46.32 91.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 17' ' ' ARG . 15.1 tt0 -70.43 -29.37 65.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.446 ' CZ ' HD23 ' A' ' 95' ' ' LEU . 11.7 t80 -56.74 -44.01 81.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.83 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.0 OUTLIER -77.02 -43.09 35.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.9 m -53.48 -24.43 13.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.61 -31.19 11.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.775 ' HB3' HD21 ' A' ' 95' ' ' LEU . 19.7 m-85 -116.8 77.93 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -121.4 126.95 26.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 111.134 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.463 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.385 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.717 HG13 ' OD1' ' A' ' 79' ' ' ASP . 5.0 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.87 0.367 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.644 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.8 tm? -35.93 -57.92 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.588 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -53.41 -37.36 55.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.53 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 37' ' ' VAL . 7.9 t80 -43.28 -31.16 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.641 HD11 ' N ' ' A' ' 80' ' ' ALA . 13.1 mt -71.49 -57.47 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -48.48 -49.9 33.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -61.82 -46.38 89.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -59.02 -65.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.722 HG23 HD22 ' A' ' 99' ' ' LEU . 97.2 mt -47.01 -63.6 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.463 HG21 ' HD3' ' A' ' 27' ' ' PRO . 14.3 t -40.79 -42.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -68.96 -34.06 74.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.7 mt -67.31 -58.66 4.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.83 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -36.15 -49.34 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -46.22 -51.15 14.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.24 -52.89 24.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.5 t -41.58 -63.57 0.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.74 HD13 ' OE1' ' A' ' 19' ' ' GLN . 28.5 mt -46.41 -58.34 3.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.39 -26.37 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.65 ' CB ' HG13 ' A' ' 61' ' ' VAL . 46.2 mmtt -84.16 -62.97 1.43 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.7 t -46.35 -37.75 7.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.27 -36.01 73.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -108.48 5.45 25.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.403 ' C ' HD23 ' A' ' 60' ' ' LEU . 6.6 t30 66.87 48.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 60' ' ' LEU . 6.3 mt -101.58 -8.29 22.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.67 HG12 ' CE2' ' A' ' 65' ' ' TYR . 27.9 m -86.36 128.89 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.9 p -131.18 168.76 16.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.157 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 m -39.58 -52.23 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 65' ' ' TYR . 8.0 tpt180 -58.89 -57.06 14.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.67 ' CE2' HG12 ' A' ' 61' ' ' VAL . 67.4 t80 -34.88 -58.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -59.88 -61.9 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mt -39.24 -54.25 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.14 -40.06 86.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.401 ' O ' HD23 ' A' ' 73' ' ' LEU . 18.1 ttt -59.81 -33.27 71.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.452 ' CD ' HD22 ' A' ' 100' ' ' LEU . 20.6 mt-30 -71.3 -43.56 66.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -71.59 -29.02 64.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -71.33 -38.49 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.879 HD22 HD23 ' A' ' 99' ' ' LEU . 3.9 pp -85.3 -46.95 10.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.787 ' N ' HD12 ' A' ' 73' ' ' LEU . 16.6 mt-10 -46.93 -57.65 4.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -44.39 -53.83 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 73' ' ' LEU . 45.6 mt -41.64 -40.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.892 HD13 HG11 ' A' ' 96' ' ' VAL . 31.7 tp -35.78 -39.23 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.507 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.7 pp0? -44.97 -52.15 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.717 ' OD1' HG13 ' A' ' 37' ' ' VAL . 7.6 m-20 -39.08 -39.88 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.641 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -78.74 -57.87 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.52 ' CE1' HD21 ' A' ' 77' ' ' LEU . 8.4 m170 -62.02 -8.29 5.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' GLN . 28.2 mm-40 -83.09 -56.55 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.576 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -113.24 -55.47 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.72 ' HB3' HG22 ' A' ' 89' ' ' VAL . 10.6 t -41.21 145.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.616 ' O ' HG23 ' A' ' 89' ' ' VAL . 40.6 m-20 -95.03 155.7 16.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.0 p -37.88 -27.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 85' ' ' ASP . 8.4 pt-20 -69.03 -55.87 9.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.415 ' CB ' ' OG ' ' A' ' 84' ' ' SER . 7.3 mp0 -74.91 -44.6 47.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.72 HG22 ' HB3' ' A' ' 84' ' ' SER . 12.2 t -51.42 -41.07 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.8 t -49.99 -49.28 51.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -52.72 -61.66 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' VAL . 13.5 mm -54.99 -55.39 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.497 HG23 HG12 ' A' ' 89' ' ' VAL . 9.6 t -37.09 -43.78 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -56.48 -47.63 78.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.775 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.4 mp -63.99 -70.69 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.892 HG11 HD13 ' A' ' 77' ' ' LEU . 7.4 p -36.35 -34.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.0 ttm-85 -79.75 -59.64 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 101' ' ' ILE . 26.0 mttp -47.54 -51.49 20.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.879 HD23 HD22 ' A' ' 73' ' ' LEU . 28.4 tp -42.9 -40.39 2.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.827 HD21 HD11 ' A' ' 73' ' ' LEU . 26.2 mt -73.22 -30.61 63.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' LYS . 9.7 mt -77.47 -25.07 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.7 mt -85.62 -62.67 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.69 HG23 ' O ' ' A' ' 99' ' ' LEU . 11.6 pt -48.25 -30.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.8 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.714 0.292 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.467 ' O ' HD21 ' A' ' 53' ' ' LEU . 20.2 mt-10 -43.95 -50.63 8.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.37 -37.51 25.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.438 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.443 ' HB2' HG23 ' A' ' 102' ' ' ILE . 56.9 mtp180 -64.46 -56.68 12.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.51 ' HG ' HG21 ' A' ' 102' ' ' ILE . 3.5 mt -45.43 -30.57 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -65.71 -51.08 62.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -68.39 -30.49 69.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.428 ' CZ ' HD23 ' A' ' 95' ' ' LEU . 10.8 t80 -52.21 -47.22 65.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.492 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.9 mt -74.48 -45.68 44.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.9 m -51.92 -24.12 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.48 -21.61 15.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.679 ' HB3' HD21 ' A' ' 95' ' ' LEU . 20.8 m-85 -130.01 76.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -119.61 129.12 25.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.681 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.145 0 C-N-CA 122.694 2.263 . . . . 0.0 112.336 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.639 HG13 ' OD1' ' A' ' 79' ' ' ASP . 3.3 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.869 0.366 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.824 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.4 tm? -38.81 -45.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.6 -34.22 88.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 37' ' ' VAL . 17.6 t80 -47.39 -22.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.862 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.626 HD11 ' CB ' ' A' ' 79' ' ' ASP . 6.8 mt -77.59 -50.41 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -52.84 -52.81 55.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -58.94 -46.68 87.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.572 ' OE1' HD22 ' A' ' 76' ' ' LEU . 57.3 mt-30 -58.97 -62.12 2.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.562 HG23 HD22 ' A' ' 99' ' ' LEU . 80.7 mt -50.75 -64.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.681 HG21 ' HD3' ' A' ' 27' ' ' PRO . 29.3 t -40.49 -37.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -73.07 -40.33 65.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.2 mt -63.09 -55.69 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.492 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -41.84 -47.67 4.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.5 mtp85 -48.38 -51.93 24.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -47.49 -52.82 16.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.1 t -42.67 -60.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.467 HD21 ' O ' ' A' ' 15' ' ' GLU . 19.8 mt -44.95 -58.16 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.54 -28.92 22.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.73 ' CB ' HG13 ' A' ' 61' ' ' VAL . 47.6 mmtt -79.7 -69.38 0.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 m -40.78 -39.46 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.74 -40.97 73.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.514 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.403 ' HB2' HD21 ' A' ' 60' ' ' LEU . 11.5 mm-40 -105.47 10.88 33.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.932 0.396 . . . . 0.0 110.903 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.6 m120 63.07 42.93 6.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.455 ' N ' HD23 ' A' ' 60' ' ' LEU . 5.2 mt -91.63 -24.07 19.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.73 HG13 ' CB ' ' A' ' 55' ' ' LYS . 31.2 m -70.42 133.68 31.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.9 p -132.54 167.33 20.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 m -41.05 -54.48 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 65' ' ' TYR . 3.7 tpp85 -57.75 -54.22 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.531 ' CE2' HG12 ' A' ' 61' ' ' VAL . 72.4 t80 -36.13 -58.06 0.68 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.2 m-85 -57.27 -63.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.6 mp -36.08 -59.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.418 ' CD ' ' OE2' ' A' ' 71' ' ' GLU . 16.5 mm-40 -60.95 -42.04 97.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.2 ttt -59.77 -32.91 71.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -68.6 -52.45 31.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.418 ' OE2' ' CD ' ' A' ' 68' ' ' GLU . 8.9 pt-20 -66.03 -29.59 69.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -68.25 -47.12 68.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.036 HD11 HD21 ' A' ' 100' ' ' LEU . 3.5 pp -76.63 -47.49 22.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.951 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.751 ' N ' HD12 ' A' ' 73' ' ' LEU . 14.3 mt-10 -50.02 -56.22 11.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.9 tpp85 -44.49 -49.8 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.572 HD22 ' OE1' ' A' ' 44' ' ' GLN . 84.1 mt -46.39 -42.03 14.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.896 HD13 HG11 ' A' ' 96' ' ' VAL . 21.9 tp -37.82 -30.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.556 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.8 pp0? -51.88 -47.98 64.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.639 ' OD1' HG13 ' A' ' 37' ' ' VAL . 7.0 m-20 -45.79 -35.45 4.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.553 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -82.0 -58.06 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.524 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 11.5 m170 -58.93 -10.33 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -83.45 -69.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -98.88 -60.68 1.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.563 ' CB ' HD23 ' A' ' 38' ' ' LEU . 30.5 t -38.13 156.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 87' ' ' GLU . 5.4 m-20 -110.52 155.43 22.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 85' ' ' ASP . 11.3 p -34.22 -33.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 85' ' ' ASP . 15.9 pt-20 -63.88 -52.99 57.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' A' ' 87' ' ' GLU . 3.7 mp0 -77.37 -44.22 30.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.735 HG12 HG23 ' A' ' 93' ' ' VAL . 18.5 t -56.56 -26.8 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.2 t -59.4 -43.64 92.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -61.64 -62.35 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.2 mm -54.33 -52.7 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.735 HG23 HG12 ' A' ' 89' ' ' VAL . 8.4 t -38.15 -52.04 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.073 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -49.57 -45.84 48.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.679 HD21 ' HB3' ' A' ' 25' ' ' TYR . 5.0 mp -63.68 -71.13 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.896 HG11 HD13 ' A' ' 77' ' ' LEU . 7.7 p -36.56 -35.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -78.96 -66.56 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 101' ' ' ILE . 10.6 mttm -42.46 -47.37 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.826 HD23 HD22 ' A' ' 73' ' ' LEU . 12.8 tp -45.7 -43.43 12.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.036 HD21 HD11 ' A' ' 73' ' ' LEU . 5.6 mt -74.38 -22.47 59.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 98' ' ' LYS . 5.3 mt -85.43 -19.81 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.51 HG21 ' HG ' ' A' ' 18' ' ' LEU . 14.3 mt -90.49 -57.06 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 27.8 pt -56.65 -29.06 28.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.0 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.868 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.6 ttt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.715 0.293 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.582 ' O ' HD21 ' A' ' 53' ' ' LEU . 33.4 mt-10 -43.58 -45.47 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.839 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.3 -39.04 81.29 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -62.12 -56.9 14.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.351 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.435 ' HG ' ' CG2' ' A' ' 102' ' ' ILE . 5.9 mt -41.76 -37.26 1.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -60.55 -55.3 35.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -62.3 -33.09 73.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -52.47 -44.33 65.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.693 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.0 OUTLIER -78.45 -45.73 21.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.2 m -53.74 -25.86 20.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.8 -35.46 12.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.69 ' HB3' HD21 ' A' ' 95' ' ' LEU . 20.1 m-85 -117.21 80.15 1.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.25 125.17 28.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.536 0.684 . . . . 0.0 111.079 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.589 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.769 HG13 ' OD1' ' A' ' 79' ' ' ASP . 12.8 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.858 0.361 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.577 HD13 ' N ' ' A' ' 39' ' ' GLY . 1.9 tm? -35.84 -60.53 0.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.577 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -53.88 -37.79 58.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' VAL . 11.0 t80 -38.26 -32.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.521 HG22 ' CD1' ' A' ' 45' ' ' ILE . 13.3 mt -71.54 -60.01 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.499 ' HB2' HD12 ' A' ' 92' ' ' ILE . 20.8 t-160 -48.18 -48.22 34.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -61.49 -44.14 97.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -64.14 -71.93 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.76 HG23 HD22 ' A' ' 99' ' ' LEU . 86.6 mt -38.8 -60.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.589 HG21 ' HD3' ' A' ' 27' ' ' PRO . 42.7 t -43.02 -41.14 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -71.47 -34.8 70.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 48' ' ' LEU . 13.4 mt -65.23 -57.9 7.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.693 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -37.45 -47.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -46.99 -52.01 15.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -53.04 -44.19 67.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.409 ' SG ' HG22 ' A' ' 103' ' ' ILE . 2.6 t -50.85 -54.13 26.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.582 HD21 ' O ' ' A' ' 15' ' ' GLU . 24.5 mt -50.78 -57.92 7.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.17 -32.31 35.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.691 ' CB ' HG13 ' A' ' 61' ' ' VAL . 39.8 mmtt -71.2 -65.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.8 t -50.21 -34.94 24.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.34 -35.76 91.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -109.09 11.39 25.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.392 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.1 m120 64.08 46.26 3.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mt -99.98 -24.46 14.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.691 HG13 ' CB ' ' A' ' 55' ' ' LYS . 23.9 m -65.96 118.68 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.6 p -122.08 159.98 25.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.9 m -37.6 -49.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -61.03 -49.79 75.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.455 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 61.6 t80 -39.68 -58.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.577 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.5 m-85 -60.49 -61.77 2.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' PHE . 3.6 mt -36.92 -58.94 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -63.42 -41.26 98.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.3 ttt -56.37 -37.81 70.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -63.64 -47.2 82.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.25 -33.2 72.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -65.3 -44.1 88.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.96 HD11 HD21 ' A' ' 100' ' ' LEU . 3.6 pp -80.4 -48.5 12.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.746 ' N ' HD12 ' A' ' 73' ' ' LEU . 18.4 mt-10 -44.77 -63.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.7 tpt85 -40.14 -56.52 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 77' ' ' LEU . 78.5 mt -39.97 -40.41 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.79 HD13 HG11 ' A' ' 96' ' ' VAL . 26.7 tp -35.61 -40.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -45.34 -49.67 12.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.769 ' OD1' HG13 ' A' ' 37' ' ' VAL . 7.1 m-20 -39.63 -35.9 0.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.552 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -84.47 -58.31 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.409 ' CE1' ' HG ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -61.5 -7.93 3.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 78' ' ' GLN . 18.1 mm-40 -80.44 -60.29 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.505 ' N ' ' HD2' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -114.23 -52.03 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.531 ' HB3' HG22 ' A' ' 89' ' ' VAL . 14.5 t -42.66 150.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 87' ' ' GLU . 21.5 m-20 -101.75 150.98 22.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 85' ' ' ASP . 13.6 t -37.92 -26.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 85' ' ' ASP . 9.6 pt-20 -67.79 -46.6 71.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 85' ' ' ASP . 24.5 mt-10 -86.79 -33.61 19.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.675 HG12 HG23 ' A' ' 93' ' ' VAL . 16.5 t -64.51 -34.83 72.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.6 t -51.54 -44.97 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -61.6 -64.67 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.499 HD12 ' HB2' ' A' ' 42' ' ' HIS . 26.0 mm -49.77 -49.59 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.675 HG23 HG12 ' A' ' 89' ' ' VAL . 25.4 t -41.87 -46.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -53.36 -44.1 68.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.69 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.9 mp -64.25 -70.83 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.79 HG11 HD13 ' A' ' 77' ' ' LEU . 5.9 p -38.82 -37.14 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.4 ttm-85 -75.59 -64.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 101' ' ' ILE . 9.4 mttm -43.14 -51.87 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.855 HD23 HD22 ' A' ' 73' ' ' LEU . 23.2 tp -40.93 -49.69 3.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.96 HD21 HD11 ' A' ' 73' ' ' LEU . 22.9 mt -63.98 -29.71 70.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 98' ' ' LYS . 10.0 mt -78.92 -29.47 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.435 ' CG2' ' HG ' ' A' ' 18' ' ' LEU . 20.6 mt -79.93 -62.91 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.577 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 31.9 pt -47.99 -27.04 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.911 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.8 ttp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.77 0.319 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' ARG . 13.7 mm-40 -46.89 -64.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' GLU . . . -36.29 -33.32 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 15' ' ' GLU . 59.6 mtp180 -71.71 -66.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 0.0 110.86 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.649 ' HB2' HD21 ' A' ' 53' ' ' LEU . 4.5 mt -37.29 -34.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -64.22 -57.21 10.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.42 -31.11 71.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.416 ' CZ ' HD23 ' A' ' 95' ' ' LEU . 14.7 t80 -55.31 -45.22 76.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.643 HD13 ' HD3' ' A' ' 50' ' ' ARG . 1.3 mt -76.97 -44.83 29.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.7 m -52.82 -24.65 9.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.22 -27.86 12.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.782 ' HB3' HD21 ' A' ' 95' ' ' LEU . 18.4 m-30 -120.11 78.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -123.47 120.04 27.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.587 0.708 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.248 . . . . 0.0 112.369 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.558 HG12 ' HG3' ' A' ' 83' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.867 0.365 . . . . 0.0 111.133 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.809 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.6 tm? -39.82 -52.76 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.505 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -53.17 -33.81 46.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 37' ' ' VAL . 4.3 t80 -45.49 -32.08 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 110.882 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.7 HD11 ' HB2' ' A' ' 79' ' ' ASP . 14.0 mt -74.32 -60.24 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.419 ' HB2' HD12 ' A' ' 92' ' ' ILE . 10.4 t-160 -46.56 -44.63 18.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -66.03 -45.87 79.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -60.3 -56.67 18.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.695 HG23 HD22 ' A' ' 99' ' ' LEU . 84.2 mt -54.57 -62.67 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -45.31 -31.09 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -78.58 -36.3 44.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.2 mt -68.99 -47.75 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.417 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -45.67 -49.2 14.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.086 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.643 ' HD3' HD13 ' A' ' 22' ' ' LEU . 18.2 mmm180 -47.59 -53.12 15.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 37.9 t0 -49.67 -45.61 48.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.2 t -47.03 -55.37 8.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.649 HD21 ' HB2' ' A' ' 18' ' ' LEU . 11.3 mt -51.39 -60.74 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.78 -29.61 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.05 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.696 ' CB ' HG13 ' A' ' 61' ' ' VAL . 34.3 mmtt -76.66 -66.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.2 m -45.8 -39.66 8.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.91 -38.89 76.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -104.7 3.47 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 68.9 48.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.447 ' N ' HD23 ' A' ' 60' ' ' LEU . 5.8 mt -100.03 -22.01 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.696 HG13 ' CB ' ' A' ' 55' ' ' LYS . 29.5 m -69.2 122.34 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 63' ' ' SER . 63.2 p -122.55 158.15 30.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.501 ' O ' HD23 ' A' ' 67' ' ' LEU . 33.7 p -34.55 -54.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.827 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 65' ' ' TYR . 0.7 OUTLIER -59.55 -52.25 66.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.655 ' CE2' HG12 ' A' ' 61' ' ' VAL . 64.4 t80 -35.38 -57.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.508 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.1 m-85 -58.93 -63.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 63' ' ' SER . 4.2 mm? -34.02 -57.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -61.59 -39.78 92.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.469 ' N ' ' O ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -60.02 -44.04 94.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.416 ' HB3' HD22 ' A' ' 100' ' ' LEU . 21.8 mt-30 -66.57 -49.75 65.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -63.32 -31.06 72.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -69.98 -52.63 22.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.942 HD22 HD23 ' A' ' 99' ' ' LEU . 2.3 pp -68.65 -47.96 65.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.644 ' N ' HD12 ' A' ' 73' ' ' LEU . 17.8 mt-10 -45.73 -55.45 6.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -49.57 -52.33 30.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 73' ' ' LEU . 93.9 mt -42.52 -41.44 2.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.691 HD13 HG11 ' A' ' 96' ' ' VAL . 25.5 tp -35.74 -34.59 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.445 ' CD ' ' N ' ' A' ' 79' ' ' ASP . 4.2 pp0? -47.25 -51.07 19.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.7 ' HB2' HD11 ' A' ' 41' ' ' ILE . 15.4 m-20 -44.45 -40.23 5.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.559 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -76.56 -57.12 4.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.616 ' CE1' HD21 ' A' ' 77' ' ' LEU . 11.9 m170 -61.55 -8.79 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -86.81 -69.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.558 ' HG3' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -94.8 -65.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.657 ' HB3' HG22 ' A' ' 89' ' ' VAL . 8.0 t -34.12 148.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 87' ' ' GLU . 19.6 t70 -98.74 155.03 17.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 85' ' ' ASP . 87.6 p -35.77 -31.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 85' ' ' ASP . 4.8 tp10 -64.88 -63.87 1.01 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -66.51 -45.56 79.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.657 HG22 ' HB3' ' A' ' 84' ' ' SER . 62.7 t -49.29 -46.26 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.3 t -50.09 -33.9 20.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -64.56 -58.65 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.419 HD12 ' HB2' ' A' ' 42' ' ' HIS . 5.4 mm -59.8 -47.11 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.16 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.9 t -43.16 -43.68 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -57.2 -46.8 82.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.782 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.2 mp -65.14 -69.54 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.691 HG11 HD13 ' A' ' 77' ' ' LEU . 7.6 p -36.5 -35.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.624 HH11 HD11 ' A' ' 101' ' ' ILE . 6.6 ttm-85 -79.81 -60.42 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 101' ' ' ILE . 26.1 mttp -45.18 -55.09 6.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.942 HD23 HD22 ' A' ' 73' ' ' LEU . 33.9 tp -40.31 -42.65 1.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.883 HD21 HD11 ' A' ' 73' ' ' LEU . 26.4 mt -71.62 -33.02 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.624 HD11 HH11 ' A' ' 97' ' ' ARG . 9.4 mt -71.52 -24.84 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.0 mt -86.98 -58.34 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.759 HG23 ' O ' ' A' ' 99' ' ' LEU . 8.2 pt -56.26 -31.09 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.3 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.907 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.747 0.308 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -41.25 -56.79 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.43 -37.84 4.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.594 ' HB2' HG23 ' A' ' 102' ' ' ILE . 26.6 mtp180 -62.89 -59.44 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.806 0.336 . . . . 0.0 110.919 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.665 ' HG ' HG21 ' A' ' 102' ' ' ILE . 3.2 mt -45.76 -30.82 1.75 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -63.53 -47.71 80.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -70.41 -25.7 63.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.61 ' CZ ' HD23 ' A' ' 95' ' ' LEU . 21.9 t80 -57.6 -40.8 79.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.93 -36.36 36.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.7 m -62.03 -22.26 65.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.35 -28.99 11.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.641 ' HB3' HD21 ' A' ' 95' ' ' LEU . 19.8 m-85 -126.19 102.55 7.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -135.65 120.71 13.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.709 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.65 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.267 . . . . 0.0 112.344 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.755 HG13 ' OD1' ' A' ' 79' ' ' ASP . 9.3 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.875 0.369 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.739 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.2 tm? -35.91 -55.87 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.66 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -55.99 -34.91 62.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' A' ' 37' ' ' VAL . 8.7 t80 -44.3 -34.83 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.621 HD11 ' HB2' ' A' ' 79' ' ' ASP . 10.3 mt -64.95 -60.38 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.623 ' O ' HG23 ' A' ' 46' ' ' VAL . 5.9 t-160 -41.51 -45.5 3.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -67.18 -46.77 72.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -59.52 -68.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.502 HG23 HD22 ' A' ' 99' ' ' LEU . 97.7 mt -45.12 -69.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.65 HG21 ' HD3' ' A' ' 27' ' ' PRO . 89.0 t -36.45 -43.64 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -66.6 -41.2 88.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 45' ' ' ILE . 13.6 mt -63.29 -39.56 94.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.95 -47.59 77.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -50.42 -50.1 52.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -52.59 -46.16 66.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.69 -58.81 5.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.1 mt -40.42 -58.14 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.81 -40.39 66.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.76 ' CB ' HG13 ' A' ' 61' ' ' VAL . 35.3 mmtt -61.47 -66.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.2 t -49.68 -30.33 8.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.09 -31.37 79.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -115.97 18.98 15.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 57.98 48.39 13.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.421 ' O ' HG23 ' A' ' 62' ' ' THR . 6.2 mt -100.56 -30.69 11.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.813 HG12 ' CE2' ' A' ' 65' ' ' TYR . 19.5 m -63.1 112.25 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 60' ' ' LEU . 50.5 p -115.3 159.25 21.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' THR . 12.6 t -35.51 -50.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -61.87 -48.26 81.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.813 ' CE2' HG12 ' A' ' 61' ' ' VAL . 40.1 t80 -41.1 -47.22 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.582 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 23.3 m-85 -71.71 -62.75 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.5 mp -36.0 -45.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -73.39 -44.12 59.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.668 ' HG3' HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -56.6 -52.77 63.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -49.2 -44.76 43.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -73.15 -38.17 66.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -62.16 -36.31 81.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.982 HD22 HD23 ' A' ' 99' ' ' LEU . 4.1 pp -88.11 -44.37 10.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.742 ' N ' HD12 ' A' ' 73' ' ' LEU . 21.6 mt-10 -48.75 -64.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -40.57 -56.73 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 73' ' ' LEU . 89.9 mt -40.15 -39.08 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.822 HD13 HG11 ' A' ' 96' ' ' VAL . 27.8 tp -35.7 -38.73 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.498 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.6 pp0? -46.54 -48.79 19.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.755 ' OD1' HG13 ' A' ' 37' ' ' VAL . 9.5 m-20 -40.76 -33.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.607 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -88.35 -57.55 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.534 ' CE1' HD21 ' A' ' 77' ' ' LEU . 9.7 m170 -61.51 -8.24 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 78' ' ' GLN . 22.2 mm-40 -83.38 -60.32 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.452 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -109.74 -54.22 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.688 ' HB3' HG22 ' A' ' 89' ' ' VAL . 7.6 t -39.85 157.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.657 ' O ' HG23 ' A' ' 89' ' ' VAL . 1.5 m-20 -110.92 158.5 18.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 85' ' ' ASP . 48.9 p -37.04 -28.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 85' ' ' ASP . 8.1 tt0 -69.71 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.82 -44.59 89.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.688 HG22 ' HB3' ' A' ' 84' ' ' SER . 16.0 t -52.85 -39.21 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.8 t -51.93 -44.97 64.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -58.06 -60.06 4.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 95' ' ' LEU . 14.9 mm -57.59 -57.41 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.652 HG23 HG12 ' A' ' 89' ' ' VAL . 13.0 t -35.56 -47.83 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -54.19 -42.99 70.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.641 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.4 mp -68.96 -70.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.822 HG11 HD13 ' A' ' 77' ' ' LEU . 5.7 p -35.88 -37.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -80.87 -57.92 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -44.78 -51.0 9.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.982 HD23 HD22 ' A' ' 73' ' ' LEU . 37.4 tp -45.14 -46.49 11.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.904 HD21 HD11 ' A' ' 73' ' ' LEU . 16.0 mt -64.85 -28.35 69.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.0 mt -74.72 -26.43 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.665 HG21 ' HG ' ' A' ' 18' ' ' LEU . 10.4 mt -87.12 -63.03 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.582 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 15.0 pt -49.61 -29.41 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 -179.905 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.477 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.768 0.318 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.477 ' N ' ' SD ' ' A' ' 14' ' ' MET . 39.2 mt-10 -51.55 -47.15 63.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.95 -26.17 18.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.46 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.456 ' HB2' HG23 ' A' ' 102' ' ' ILE . 13.0 mtp85 -76.95 -59.57 2.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.596 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.2 mt -40.0 -28.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 17' ' ' ARG . 21.4 mt-30 -66.67 -49.98 64.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -67.65 -28.86 68.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -57.08 -44.62 83.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.535 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.5 mt -77.7 -41.54 37.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 60.1 m -57.64 -22.69 47.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.91 -25.63 14.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.078 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.58 ' HB3' HD21 ' A' ' 95' ' ' LEU . 20.6 m-85 -126.16 85.01 2.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.921 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -124.62 128.2 25.0 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.562 0.696 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.631 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.136 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.703 HG11 ' HD3' ' A' ' 83' ' ' ARG . 2.9 t . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.857 0.36 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.634 ' C ' HD13 ' A' ' 38' ' ' LEU . 2.3 tm? -44.37 -49.85 9.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.95 -22.98 67.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.425 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -52.85 -33.4 49.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 0.0 110.869 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.738 HG22 HD12 ' A' ' 45' ' ' ILE . 11.8 mt -69.06 -59.15 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.602 ' O ' HG23 ' A' ' 46' ' ' VAL . 17.9 t-160 -47.32 -49.54 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.814 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -60.67 -42.65 97.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -68.24 -67.8 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.738 HD12 HG22 ' A' ' 41' ' ' ILE . 52.5 mt -42.44 -65.05 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.631 HG21 ' HD3' ' A' ' 27' ' ' PRO . 53.4 t -34.33 -41.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -69.92 -45.2 68.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.7 mt -57.32 -44.16 83.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.535 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -53.69 -50.83 64.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -48.61 -46.64 39.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.84 -52.07 52.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.404 ' SG ' HG22 ' A' ' 103' ' ' ILE . 1.8 t -44.4 -59.25 2.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.596 HD21 ' HB2' ' A' ' 18' ' ' LEU . 40.7 mt -44.61 -59.09 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.48 -34.43 61.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.643 ' HB3' HG13 ' A' ' 61' ' ' VAL . 28.1 mmtm -69.42 -64.28 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.1 m -42.46 -45.23 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -48.41 -43.49 27.31 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -100.52 4.4 43.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 68.83 47.53 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.438 ' HB2' ' CD ' ' A' ' 55' ' ' LYS . 7.0 mt -103.64 12.44 34.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.643 HG13 ' HB3' ' A' ' 55' ' ' LYS . 20.4 m -116.71 118.78 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.1 p -130.49 171.0 13.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.4 p -37.26 -42.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 65' ' ' TYR . 6.5 tpt180 -67.19 -62.57 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.489 ' CE2' HG12 ' A' ' 61' ' ' VAL . 84.4 t80 -34.9 -49.79 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.577 ' HD1' HD12 ' A' ' 103' ' ' ILE . 29.9 m-85 -64.23 -63.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -34.29 -61.43 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -58.53 -36.27 73.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.81 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 66' ' ' PHE . 10.7 ttt -65.09 -62.63 1.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.667 ' HB3' HD22 ' A' ' 100' ' ' LEU . 9.9 mt-30 -39.56 -43.11 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.15 -40.1 65.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -59.95 -36.13 76.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.979 HD22 HD23 ' A' ' 99' ' ' LEU . 3.7 pp -88.72 -43.86 10.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.666 ' N ' HD12 ' A' ' 73' ' ' LEU . 17.4 mt-10 -50.71 -58.19 6.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -43.2 -53.57 5.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 77' ' ' LEU . 74.4 mt -42.58 -41.51 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.916 HD13 HG11 ' A' ' 96' ' ' VAL . 29.5 tp -36.05 -35.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.549 ' NE2' ' OE1' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -46.39 -51.8 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.691 ' OD1' HG13 ' A' ' 37' ' ' VAL . 6.8 m-20 -38.25 -35.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.49 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -84.0 -55.98 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.605 ' CE1' HD21 ' A' ' 77' ' ' LEU . 7.8 m170 -62.41 -7.76 4.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.549 ' OE1' ' NE2' ' A' ' 78' ' ' GLN . 15.1 mt-10 -86.35 -49.97 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.703 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -115.71 -73.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.743 ' OG ' HG22 ' A' ' 89' ' ' VAL . 95.6 p -34.75 152.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.569 ' O ' HG23 ' A' ' 89' ' ' VAL . 0.7 OUTLIER -98.86 158.08 15.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 85' ' ' ASP . 60.0 p -32.36 -38.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 85' ' ' ASP . 5.0 mp0 -61.09 -65.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -60.55 -33.66 72.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.943 HG12 HG23 ' A' ' 93' ' ' VAL . 15.9 t -70.89 -25.13 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.4 p -58.36 -36.34 73.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -67.22 -58.92 3.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 95' ' ' LEU . 12.2 mm -60.5 -52.53 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.943 HG23 HG12 ' A' ' 89' ' ' VAL . 3.0 t -38.4 -49.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -52.51 -43.66 65.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.58 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.7 mp -64.64 -69.28 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.916 HG11 HD13 ' A' ' 77' ' ' LEU . 4.8 p -38.07 -35.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -79.06 -64.98 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 101' ' ' ILE . 9.0 mttm -43.55 -48.84 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.979 HD23 HD22 ' A' ' 73' ' ' LEU . 11.4 tp -43.1 -46.18 5.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.796 HD21 HD11 ' A' ' 73' ' ' LEU . 7.8 mt -71.87 -24.5 61.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 98' ' ' LYS . 13.8 mt -80.95 -16.07 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.456 HG23 ' HB2' ' A' ' 17' ' ' ARG . 13.2 mt -96.74 -63.1 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.093 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.577 HD12 ' HD1' ' A' ' 66' ' ' PHE . 24.5 pt -50.26 -29.03 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.925 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.471 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.471 ' N ' ' SD ' ' A' ' 14' ' ' MET . 57.5 mt-10 -41.16 -59.34 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -38.85 -39.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.45 ' HB2' HG23 ' A' ' 102' ' ' ILE . 56.0 mtp85 -63.48 -65.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.487 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.4 mt -36.0 -39.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.647 ' OE1' HD13 ' A' ' 53' ' ' LEU . 15.5 mm-40 -59.49 -49.3 78.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' ARG . 14.3 tt0 -71.88 -25.67 62.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.401 ' CE1' ' HD2' ' A' ' 25' ' ' TYR . 4.5 t80 -58.12 -39.48 78.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.696 HD21 ' HB3' ' A' ' 49' ' ' ALA . 0.8 OUTLIER -81.58 -43.62 18.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.7 m -53.56 -25.53 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.24 -34.57 12.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.786 ' HB3' HD21 ' A' ' 95' ' ' LEU . 7.8 m-85 -112.8 48.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.0 114.05 61.57 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 111.075 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.408 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.704 2.269 . . . . 0.0 112.372 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.704 HG13 ' OD1' ' A' ' 79' ' ' ASP . 6.5 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.889 0.376 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.632 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.6 tm? -35.76 -49.88 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.451 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -60.66 -39.27 96.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.526 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 37' ' ' VAL . 8.7 t80 -40.24 -28.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.854 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.595 HD11 ' HB2' ' A' ' 79' ' ' ASP . 10.9 mt -76.78 -56.39 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -52.26 -48.29 65.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -63.39 -41.14 98.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.444 ' OE1' HD22 ' A' ' 76' ' ' LEU . 58.0 mt-30 -64.72 -66.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.685 HG23 HD22 ' A' ' 99' ' ' LEU . 84.2 mt -45.76 -65.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.408 HG21 ' HD3' ' A' ' 27' ' ' PRO . 38.3 t -41.43 -34.97 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -77.14 -35.69 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.5 mt -66.98 -56.03 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.696 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -38.69 -47.41 1.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.649 ' HD3' HD13 ' A' ' 22' ' ' LEU . 13.3 mmm180 -46.64 -50.81 17.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.33 -50.3 62.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.469 ' SG ' HG22 ' A' ' 103' ' ' ILE . 8.6 t -43.54 -58.57 2.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.647 HD13 ' OE1' ' A' ' 19' ' ' GLN . 53.5 mt -50.44 -56.7 10.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.07 -28.8 11.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.671 ' CB ' HG13 ' A' ' 61' ' ' VAL . 26.0 mmtt -78.22 -63.35 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.8 m -48.75 -40.7 29.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.66 -31.28 53.0 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -112.14 1.55 16.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 t30 71.31 45.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 mt -97.86 -20.61 17.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.671 HG13 ' CB ' ' A' ' 55' ' ' LYS . 31.0 m -70.76 133.75 31.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.8 p -133.49 164.53 26.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.5 t -41.55 -48.93 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' TYR . 9.0 tpt180 -62.26 -52.37 64.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.528 ' CE2' HG12 ' A' ' 61' ' ' VAL . 58.7 t80 -37.27 -57.19 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.538 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 22.0 m-85 -62.16 -63.18 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PHE . 3.9 mt -36.8 -46.59 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -74.76 -45.75 41.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.9 ttt -52.62 -38.11 59.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -62.93 -45.43 92.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -71.07 -34.32 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -63.96 -41.59 97.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.928 HD11 HD21 ' A' ' 100' ' ' LEU . 3.7 pp -83.84 -48.33 10.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.765 ' N ' HD12 ' A' ' 73' ' ' LEU . 25.7 mt-10 -43.78 -66.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -37.61 -56.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 73' ' ' LEU . 65.4 mt -39.58 -41.23 0.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.801 HD13 HG11 ' A' ' 96' ' ' VAL . 31.4 tp -35.62 -40.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.53 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.8 pp0? -44.57 -49.67 10.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.704 ' OD1' HG13 ' A' ' 37' ' ' VAL . 6.8 m-20 -40.56 -36.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.593 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -81.8 -58.49 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.469 ' CD2' ' CG1' ' A' ' 89' ' ' VAL . 7.9 m170 -60.99 -8.59 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 78' ' ' GLN . 27.6 mm-40 -83.76 -68.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.633 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -99.6 -54.02 3.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.797 ' HB3' HG22 ' A' ' 89' ' ' VAL . 5.2 t -43.35 156.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.721 ' O ' HG23 ' A' ' 89' ' ' VAL . 6.3 m-20 -103.76 154.01 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.0 p -38.07 -27.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 85' ' ' ASP . 31.0 mt-10 -69.27 -66.24 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.88 -40.93 97.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.797 HG22 ' HB3' ' A' ' 84' ' ' SER . 17.4 t -55.25 -38.41 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.4 t -48.63 -50.24 33.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -55.03 -63.81 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.7 mm -48.95 -50.74 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.465 HG23 HG12 ' A' ' 89' ' ' VAL . 10.5 t -44.99 -46.36 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -56.45 -47.94 78.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.786 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.1 mp -61.99 -67.19 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.801 HG11 HD13 ' A' ' 77' ' ' LEU . 5.6 p -38.74 -38.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.476 ' HG2' ' N ' ' A' ' 98' ' ' LYS . 3.0 ttt85 -76.93 -64.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.476 ' N ' ' HG2' ' A' ' 97' ' ' ARG . 25.6 mttp -40.74 -46.6 2.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.685 HD22 HG23 ' A' ' 45' ' ' ILE . 23.3 tp -47.97 -46.21 32.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.928 HD21 HD11 ' A' ' 73' ' ' LEU . 10.3 mt -70.75 -27.27 63.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 11.1 mt -76.92 -18.62 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.45 HG23 ' HB2' ' A' ' 17' ' ' ARG . 15.4 mt -93.13 -61.65 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.076 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.538 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 32.5 pt -50.62 -28.47 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.929 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.443 ' CE ' ' HA ' ' A' ' 103' ' ' ILE . 7.1 ttt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.735 0.302 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -45.19 -52.79 8.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.99 -37.75 9.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 18' ' ' LEU . 62.2 mtt180 -67.26 -63.03 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.468 ' HG ' HG21 ' A' ' 102' ' ' ILE . 4.8 mt -36.56 -40.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -58.86 -56.04 27.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -62.78 -30.76 71.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -57.21 -44.54 83.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.659 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.5 mt -79.09 -46.15 18.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.9 m -53.19 -23.5 8.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.75 -36.51 10.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.688 ' HB3' HD21 ' A' ' 95' ' ' LEU . 17.6 m-85 -114.22 65.69 0.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.13 114.06 63.98 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.614 0.721 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.48 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.786 HG13 ' OD1' ' A' ' 79' ' ' ASP . 12.3 t . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.842 0.353 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.678 ' C ' HD13 ' A' ' 38' ' ' LEU . 2.0 tm? -35.72 -57.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.554 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -56.06 -35.54 64.68 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 37' ' ' VAL . 7.0 t80 -41.15 -31.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.64 HD11 ' HB2' ' A' ' 79' ' ' ASP . 15.5 mt -73.95 -59.66 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.679 ' O ' HG23 ' A' ' 46' ' ' VAL . 18.0 t-160 -46.06 -43.49 14.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -68.89 -53.71 19.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.418 ' OE1' HD22 ' A' ' 76' ' ' LEU . 62.3 mt-30 -53.21 -60.69 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.714 HG23 HD22 ' A' ' 99' ' ' LEU . 93.3 mt -50.1 -63.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 42' ' ' HIS . 75.4 t -45.16 -28.3 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.38 -40.26 36.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.6 mt -66.75 -48.36 69.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.659 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -44.71 -49.08 10.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -48.61 -52.3 23.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -48.03 -50.85 26.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' LYS . 5.1 t -46.91 -64.91 0.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' A' ' 18' ' ' LEU . 18.8 mt -36.53 -58.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.05 -38.43 65.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.665 ' CB ' HG13 ' A' ' 61' ' ' VAL . 34.5 mmtt -65.73 -66.79 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.9 p -44.63 -40.13 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.96 -40.91 83.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.449 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -104.26 13.22 32.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.2 m120 59.95 50.3 6.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.437 ' HB2' ' CD ' ' A' ' 55' ' ' LYS . 7.0 mt -102.23 -24.52 13.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.665 HG13 ' CB ' ' A' ' 55' ' ' LYS . 23.1 m -65.88 118.44 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.5 p -120.06 163.06 18.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.0 p -37.65 -57.88 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 tpp85 -56.03 -49.81 72.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.642 ' CE2' HG12 ' A' ' 61' ' ' VAL . 61.3 t80 -39.19 -48.15 1.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.566 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.3 m-85 -71.94 -64.17 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' PHE . 3.0 mp -33.97 -53.86 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -64.59 -42.37 95.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.646 ' HG3' HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -57.9 -51.38 69.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.42 ' HA ' HD21 ' A' ' 100' ' ' LEU . 20.9 mt-30 -53.19 -49.92 65.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -65.87 -36.08 82.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -64.58 -50.3 67.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.887 HD11 HD21 ' A' ' 100' ' ' LEU . 3.7 pp -71.51 -44.24 65.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.714 ' N ' HD12 ' A' ' 73' ' ' LEU . 14.1 mt-10 -49.28 -63.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.5 tpp85 -41.65 -54.84 3.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 73' ' ' LEU . 95.3 mt -40.43 -40.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.748 HD13 HG11 ' A' ' 96' ' ' VAL . 32.7 tp -35.81 -39.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.517 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.9 pp0? -44.57 -49.32 10.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.786 ' OD1' HG13 ' A' ' 37' ' ' VAL . 7.7 m-20 -40.54 -37.2 0.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.542 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -82.11 -59.63 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.468 ' CE1' HD21 ' A' ' 77' ' ' LEU . 7.9 m170 -60.56 -8.73 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 78' ' ' GLN . 7.5 mt-10 -80.95 -65.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.509 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -104.8 -58.66 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.2 t -38.88 156.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 87' ' ' GLU . 14.6 m-20 -102.11 157.29 16.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.5 p -39.61 -27.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 85' ' ' ASP . 10.7 tp10 -69.16 -66.2 0.61 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -62.36 -38.59 90.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.526 HG12 HG23 ' A' ' 93' ' ' VAL . 89.9 t -57.2 -46.14 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.2 t -45.53 -41.87 10.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -60.34 -58.12 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.1 mm -57.93 -52.99 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.526 HG23 HG12 ' A' ' 89' ' ' VAL . 39.3 t -39.65 -47.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -54.17 -44.66 71.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.688 HD21 ' HB3' ' A' ' 25' ' ' TYR . 5.0 mp -65.32 -66.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.748 HG11 HD13 ' A' ' 77' ' ' LEU . 5.9 p -43.16 -35.9 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -76.34 -62.56 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 101' ' ' ILE . 10.7 mttm -44.48 -53.57 6.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.887 HD23 HD22 ' A' ' 73' ' ' LEU . 28.2 tp -39.92 -44.68 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.887 HD21 HD11 ' A' ' 73' ' ' LEU . 21.1 mt -71.19 -33.53 70.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 98' ' ' LYS . 14.5 mt -71.63 -26.23 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.468 HG21 ' HG ' ' A' ' 18' ' ' LEU . 17.7 mt -82.27 -63.13 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.566 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 18.4 pt -52.83 -37.23 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.8 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.861 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.1 ttt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.81 0.338 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -49.3 -58.29 5.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.05 -33.77 0.26 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.559 ' HB2' HG23 ' A' ' 102' ' ' ILE . 46.7 mtp85 -68.28 -58.31 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.42 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.3 mt -43.44 -38.98 3.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -56.84 -54.09 50.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -63.43 -33.93 76.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -55.07 -45.5 75.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.608 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.2 mt -76.99 -44.76 29.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.9 m -54.11 -25.17 20.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.52 -33.47 11.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.696 ' HB3' HD21 ' A' ' 95' ' ' LEU . 20.3 m-85 -117.45 76.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.76 115.37 35.21 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.714 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.197 0 C-N-CA 122.635 2.224 . . . . 0.0 112.367 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.501 HG12 ' HG3' ' A' ' 83' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.885 0.374 . . . . 0.0 111.169 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.743 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.3 tm? -35.91 -58.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.691 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -47.82 -37.9 15.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.495 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 37' ' ' VAL . 1.8 t80 -35.13 -45.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.868 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.483 HD11 ' HB2' ' A' ' 79' ' ' ASP . 13.5 mt -59.61 -68.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 41' ' ' ILE . 3.6 t60 -36.69 -42.0 0.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -63.78 -49.18 73.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.559 ' OE1' HD22 ' A' ' 76' ' ' LEU . 55.9 mt-30 -61.42 -63.25 1.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.506 HG23 HD22 ' A' ' 99' ' ' LEU . 96.8 mt -44.43 -66.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.714 HG21 ' HD3' ' A' ' 27' ' ' PRO . 20.9 t -39.14 -42.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.84 -42.8 76.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 45' ' ' ILE . 14.7 mt -60.97 -46.68 89.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.608 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -50.27 -50.64 49.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -47.52 -53.07 15.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -47.45 -54.19 12.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' LYS . 3.9 t -43.15 -63.88 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.42 HD21 ' HB2' ' A' ' 18' ' ' LEU . 18.3 mt -38.38 -57.82 1.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.32 -34.23 32.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.677 ' CB ' HG13 ' A' ' 61' ' ' VAL . 28.5 mmtm -71.95 -66.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 t -42.79 -41.58 3.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.69 -37.7 62.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.526 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.421 ' HB2' HD21 ' A' ' 60' ' ' LEU . 3.4 mt-10 -105.58 4.68 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.5 t30 66.8 45.8 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.421 HD21 ' HB2' ' A' ' 58' ' ' GLU . 6.2 mt -97.82 -21.87 16.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.681 HG12 ' CE2' ' A' ' 65' ' ' TYR . 20.1 m -67.95 128.55 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.3 p -132.97 166.97 21.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.0 p -37.63 -57.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -54.94 -53.29 57.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.681 ' CE2' HG12 ' A' ' 61' ' ' VAL . 47.7 t80 -39.31 -48.92 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.524 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 22.0 m-85 -72.0 -63.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.5 mp -35.61 -57.25 0.64 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.2 -47.25 85.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.551 ' HG3' HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -51.73 -41.98 61.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -61.81 -54.05 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.93 -30.6 71.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -67.86 -52.03 41.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.879 HD22 HD23 ' A' ' 99' ' ' LEU . 3.6 pp -70.4 -46.19 64.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.733 ' N ' HD12 ' A' ' 73' ' ' LEU . 18.0 mt-10 -46.92 -63.24 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -40.65 -53.8 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.559 HD22 ' OE1' ' A' ' 44' ' ' GLN . 68.3 mt -43.15 -42.91 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.697 HD13 HG11 ' A' ' 96' ' ' VAL . 29.8 tp -35.57 -33.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' LEU . 4.1 pp0? -45.77 -51.21 13.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.483 ' HB2' HD11 ' A' ' 41' ' ' ILE . 7.8 m-20 -43.22 -41.18 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.588 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -75.44 -59.27 2.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.586 ' CE1' HD21 ' A' ' 77' ' ' LEU . 11.3 m170 -60.78 -8.71 3.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 78' ' ' GLN . 41.9 mm-40 -83.02 -68.86 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.501 ' HG3' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -99.5 -59.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.629 ' HB3' HG22 ' A' ' 89' ' ' VAL . 7.7 t -35.87 152.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' GLU . 1.0 OUTLIER -102.34 150.57 23.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 85' ' ' ASP . 85.7 p -34.09 -35.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 85' ' ' ASP . 18.2 tt0 -59.74 -65.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -66.56 -45.49 79.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.629 HG22 ' HB3' ' A' ' 84' ' ' SER . 64.1 t -46.65 -36.12 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.3 t -58.17 -42.41 85.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -56.52 -61.88 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 95' ' ' LEU . 11.4 mm -56.18 -52.56 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 89' ' ' VAL . 17.5 t -37.81 -48.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -51.99 -43.56 63.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.696 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.8 mp -66.78 -70.04 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.697 HG11 HD13 ' A' ' 77' ' ' LEU . 7.5 p -39.33 -35.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.469 ' HG2' ' N ' ' A' ' 98' ' ' LYS . 6.8 ttt180 -79.54 -64.42 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.469 ' N ' ' HG2' ' A' ' 97' ' ' ARG . 13.1 mttm -40.54 -52.26 2.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.879 HD23 HD22 ' A' ' 73' ' ' LEU . 34.9 tp -41.44 -49.85 3.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.723 HD21 HD11 ' A' ' 73' ' ' LEU . 18.5 mt -64.79 -30.11 71.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 98' ' ' LYS . 3.7 mt -75.97 -21.71 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.559 HG23 ' HB2' ' A' ' 17' ' ' ARG . 10.5 mt -92.24 -63.09 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.524 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 26.0 pt -49.09 -27.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.486 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.74 0.305 . . . . 0.0 110.837 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.486 ' N ' ' SD ' ' A' ' 14' ' ' MET . 65.8 mt-10 -42.03 -56.16 2.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.83 -36.6 8.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.54 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.564 ' HB2' HG23 ' A' ' 102' ' ' ILE . 69.5 mtp85 -63.55 -62.91 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.339 . . . . 0.0 110.843 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.621 ' HG ' HG21 ' A' ' 102' ' ' ILE . 2.8 mt -42.74 -35.1 1.04 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -59.5 -53.98 51.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -69.14 -29.79 67.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -55.08 -45.34 75.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.652 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.0 OUTLIER -78.34 -46.17 20.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.4 m -50.9 -25.4 4.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.22 -35.33 10.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.664 ' HB3' HD21 ' A' ' 95' ' ' LEU . 17.4 m-85 -113.9 67.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.897 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.24 121.28 39.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.585 0.707 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.252 . . . . 0.0 112.375 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.769 HG13 ' OD1' ' A' ' 79' ' ' ASP . 14.0 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.841 0.353 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.58 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.8 tm? -35.97 -50.65 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 41' ' ' ILE . . . -61.28 -40.88 99.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.518 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.492 ' CE2' ' NE2' ' A' ' 44' ' ' GLN . 10.6 t80 -40.16 -27.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.641 HD11 ' CB ' ' A' ' 79' ' ' ASP . 10.8 mt -76.25 -54.96 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.178 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -52.98 -42.01 65.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -70.33 -40.63 74.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.492 ' NE2' ' CE2' ' A' ' 40' ' ' PHE . 66.5 mt-30 -65.71 -65.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.64 HG23 HD22 ' A' ' 99' ' ' LEU . 88.2 mt -47.43 -66.79 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -38.02 -40.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -69.9 -39.52 76.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 45' ' ' ILE . 13.8 mt -63.89 -46.62 84.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.652 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -48.74 -48.85 40.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -46.06 -50.54 15.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.42 -41.47 69.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.656 ' SG ' HG22 ' A' ' 103' ' ' ILE . 2.2 t -52.26 -58.48 6.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' A' ' 18' ' ' LEU . 42.4 mt -48.82 -57.04 7.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.65 -33.29 32.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.68 ' CB ' HG13 ' A' ' 61' ' ' VAL . 35.6 mmtt -71.75 -66.35 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 65.4 m -44.71 -39.72 5.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.52 -38.97 72.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -104.1 5.01 34.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 66.98 47.25 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 62' ' ' THR . 6.2 mt -97.5 -34.56 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.68 HG13 ' CB ' ' A' ' 55' ' ' LYS . 28.9 m -54.54 116.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 60' ' ' LEU . 61.9 p -120.9 160.18 23.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 62' ' ' THR . 22.4 p -34.86 -49.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -60.01 -52.19 66.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.66 ' CE2' HG12 ' A' ' 61' ' ' VAL . 23.3 t80 -40.7 -55.47 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 24.3 m-85 -63.71 -63.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' PHE . 4.4 mt -37.12 -49.44 0.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -70.41 -46.74 63.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.609 ' HG3' HD23 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -51.41 -52.67 44.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -53.28 -49.27 67.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.87 -28.91 67.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -72.04 -44.45 63.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.955 HD11 HD21 ' A' ' 100' ' ' LEU . 3.5 pp -78.05 -49.42 14.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.789 ' N ' HD12 ' A' ' 73' ' ' LEU . 16.4 mt-10 -43.78 -63.66 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 75' ' ' ARG . 0.7 OUTLIER -39.24 -56.22 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' LEU . 80.1 mt -40.73 -39.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.891 HD13 HG11 ' A' ' 96' ' ' VAL . 28.1 tp -35.89 -39.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.52 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.8 pp0? -48.1 -49.22 32.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.769 ' OD1' HG13 ' A' ' 37' ' ' VAL . 5.8 m-20 -40.59 -38.38 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.56 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -80.88 -60.88 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.401 ' CE1' ' HG ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -57.14 -11.63 1.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.8 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.13 -65.85 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.487 ' N ' ' HD2' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -107.92 -47.91 3.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.699 ' HB3' HG22 ' A' ' 89' ' ' VAL . 8.2 t -46.04 143.02 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.614 ' O ' HG23 ' A' ' 89' ' ' VAL . 10.1 t70 -92.31 153.85 18.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 85' ' ' ASP . 71.6 p -37.26 -27.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 85' ' ' ASP . 46.4 mt-10 -67.56 -66.29 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -65.45 -36.83 85.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.699 HG22 ' HB3' ' A' ' 84' ' ' SER . 40.9 t -57.92 -44.65 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.3 t -48.41 -44.25 34.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -57.36 -63.12 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.41 ' HA ' HD13 ' A' ' 95' ' ' LEU . 17.0 mm -53.73 -48.49 60.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.449 HG23 HG12 ' A' ' 89' ' ' VAL . 12.9 t -41.63 -47.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -53.91 -44.17 70.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 25' ' ' TYR . 5.0 mp -64.13 -70.2 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.891 HG11 HD13 ' A' ' 77' ' ' LEU . 7.0 p -38.73 -36.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -77.98 -66.27 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 101' ' ' ILE . 10.3 mttm -40.44 -52.56 2.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.891 HD23 HD22 ' A' ' 73' ' ' LEU . 21.8 tp -42.75 -43.95 4.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.955 HD21 HD11 ' A' ' 73' ' ' LEU . 11.6 mt -72.18 -27.56 62.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 98' ' ' LYS . 5.6 mt -81.03 -19.6 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.621 HG21 ' HG ' ' A' ' 18' ' ' LEU . 19.0 mt -88.28 -61.62 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.656 HG22 ' SG ' ' A' ' 52' ' ' CYS . 14.7 pt -54.62 -26.76 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.491 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.748 0.308 . . . . 0.0 110.879 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.502 ' O ' HD21 ' A' ' 53' ' ' LEU . 11.6 mt-10 -42.32 -51.79 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.12 -40.37 43.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -62.39 -60.14 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.43 ' HG ' HG21 ' A' ' 102' ' ' ILE . 4.3 mt -38.7 -33.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -64.77 -50.94 64.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -68.15 -29.78 68.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -55.58 -44.64 77.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.703 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.1 mt -78.73 -44.75 22.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.3 m -55.71 -24.99 37.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.77 -39.5 10.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -114.4 63.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.19 125.47 35.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.54 0.686 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.618 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.794 HG13 ' OD1' ' A' ' 79' ' ' ASP . 10.4 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.858 0.361 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.634 ' C ' HD13 ' A' ' 38' ' ' LEU . 2.2 tm? -35.77 -61.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.591 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -53.49 -37.5 56.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' VAL . 7.2 t80 -39.32 -32.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.355 . . . . 0.0 110.918 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.578 HD11 ' N ' ' A' ' 80' ' ' ALA . 14.4 mt -70.63 -59.82 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.54 ' HB2' HD12 ' A' ' 92' ' ' ILE . 16.7 t-160 -47.82 -46.77 31.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -63.56 -47.58 80.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -60.78 -69.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.696 HG23 HD22 ' A' ' 99' ' ' LEU . 97.7 mt -41.06 -56.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.618 HG21 ' HD3' ' A' ' 27' ' ' PRO . 18.7 t -47.97 -39.63 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -70.4 -39.29 74.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.53 -50.55 69.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.703 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -43.84 -49.06 8.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -46.6 -51.81 14.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.23 -47.15 55.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 55' ' ' LYS . 6.2 t -46.38 -63.88 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.502 HD21 ' O ' ' A' ' 15' ' ' GLU . 47.8 mt -41.38 -57.97 2.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.25 -31.72 21.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.64 ' CB ' HG13 ' A' ' 61' ' ' VAL . 48.1 mmtt -76.44 -59.99 2.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.2 p -51.47 -37.3 48.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.13 -40.65 95.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.544 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -102.46 9.99 39.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.843 0.354 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.407 ' C ' HD23 ' A' ' 60' ' ' LEU . 77.5 m-20 61.66 49.84 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.455 ' N ' HD23 ' A' ' 60' ' ' LEU . 5.3 mt -99.92 -27.91 13.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.64 HG13 ' CB ' ' A' ' 55' ' ' LYS . 35.4 m -63.65 121.52 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 63' ' ' SER . 69.2 p -123.44 158.13 31.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.197 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 62' ' ' THR . 2.5 m -34.55 -51.99 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -58.65 -52.47 65.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.424 ' CE2' HG12 ' A' ' 61' ' ' VAL . 58.3 t80 -39.9 -62.32 0.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.583 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.6 m-85 -55.91 -59.05 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 mt -41.01 -52.63 3.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -69.15 -37.45 78.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.4 ttt -61.23 -35.48 77.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -64.75 -43.97 91.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -70.35 -36.46 74.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -62.92 -45.64 91.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.975 HD11 HD21 ' A' ' 100' ' ' LEU . 3.6 pp -77.08 -46.64 22.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.743 ' N ' HD12 ' A' ' 73' ' ' LEU . 12.5 mt-10 -48.13 -62.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -39.49 -55.78 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 77' ' ' LEU . 91.8 mt -40.41 -41.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.783 HD13 HG11 ' A' ' 96' ' ' VAL . 20.9 tp -35.73 -39.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -45.79 -49.49 15.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.794 ' OD1' HG13 ' A' ' 37' ' ' VAL . 5.9 m-20 -40.99 -37.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.578 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -80.98 -58.07 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.435 ' CE1' ' HG ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -63.78 -7.42 7.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 78' ' ' GLN . 4.3 mm-40 -80.39 -64.18 1.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.559 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -107.62 -57.04 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.9 t -41.1 160.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.6 OUTLIER -105.77 154.16 20.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 85' ' ' ASP . 51.7 p -37.03 -28.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ASP . 3.6 tp10 -66.06 -64.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -64.3 -33.0 74.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.672 ' O ' HG23 ' A' ' 93' ' ' VAL . 60.5 t -65.15 -31.65 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.0 t -55.97 -44.74 78.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -61.86 -59.91 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.54 HD12 ' HB2' ' A' ' 42' ' ' HIS . 30.7 mm -54.47 -44.9 69.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 89' ' ' VAL . 15.2 t -45.72 -48.08 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -52.08 -44.32 64.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 mp -62.94 -70.97 0.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.783 HG11 HD13 ' A' ' 77' ' ' LEU . 6.8 p -39.41 -36.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -75.16 -65.42 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 101' ' ' ILE . 9.4 mttm -41.84 -53.82 3.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.904 HD23 HD22 ' A' ' 73' ' ' LEU . 25.4 tp -39.99 -46.54 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.975 HD21 HD11 ' A' ' 73' ' ' LEU . 14.2 mt -69.41 -30.58 68.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 98' ' ' LYS . 8.2 mt -78.28 -25.11 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.43 HG21 ' HG ' ' A' ' 18' ' ' LEU . 13.0 mt -86.31 -58.69 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.608 HG23 ' O ' ' A' ' 99' ' ' LEU . 24.4 pt -52.34 -26.52 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.81 -179.895 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 6.1 ttt . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.735 0.303 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 17' ' ' ARG . 15.6 mt-10 -45.48 -59.79 2.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -37.78 -30.56 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.513 ' HB2' HG23 ' A' ' 102' ' ' ILE . 61.2 mtp180 -74.47 -67.45 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.367 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.775 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.6 mt -37.11 -32.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' ARG . 67.9 mt-30 -62.59 -50.82 69.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 17' ' ' ARG . 13.4 tt0 -68.01 -29.83 68.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -57.26 -46.85 82.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.511 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.6 mt -74.24 -43.17 58.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.3 m -57.91 -21.57 44.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.82 -19.54 15.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.728 ' HB3' HD21 ' A' ' 95' ' ' LEU . 23.4 m-85 -134.13 89.2 2.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.86 123.05 20.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.744 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.322 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.746 HG11 ' HD3' ' A' ' 83' ' ' ARG . 4.3 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.614 ' C ' HD13 ' A' ' 38' ' ' LEU . 2.0 tm? -35.92 -51.08 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.55 -39.38 94.94 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.466 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 37' ' ' VAL . 11.0 t80 -42.36 -27.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.899 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.599 HD11 ' HB2' ' A' ' 79' ' ' ASP . 10.4 mt -75.24 -54.0 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -51.78 -44.84 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -65.84 -48.02 73.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.818 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -59.35 -59.34 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.556 HG23 HD22 ' A' ' 99' ' ' LEU . 79.6 mt -51.79 -67.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.744 HG21 ' HD3' ' A' ' 27' ' ' PRO . 12.5 t -35.61 -44.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -66.66 -42.57 86.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 45' ' ' ILE . 11.8 mt -59.14 -49.36 78.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.511 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -46.9 -46.33 21.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 5.7 mmm180 -50.69 -50.65 54.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -48.79 -55.31 11.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.494 ' SG ' HG22 ' A' ' 103' ' ' ILE . 2.3 t -41.72 -62.91 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.775 HD21 ' HB2' ' A' ' 18' ' ' LEU . 62.6 mt -44.15 -59.55 2.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.8 -33.1 15.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.716 ' HB2' HG13 ' A' ' 61' ' ' VAL . 15.1 mmmt -75.88 -62.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 p -48.63 -40.99 29.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.11 -29.4 52.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.06 0.23 14.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.4 t30 71.23 42.77 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.413 ' N ' HD23 ' A' ' 60' ' ' LEU . 6.5 mt -93.95 -21.78 18.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.716 HG13 ' HB2' ' A' ' 55' ' ' LYS . 18.9 m -68.93 128.66 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 63' ' ' SER . 80.6 p -124.25 154.64 39.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 62' ' ' THR . 40.4 t -35.01 -45.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.463 ' HA ' ' NE ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -66.48 -52.29 47.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.495 ' CE2' HG12 ' A' ' 61' ' ' VAL . 85.3 t80 -35.04 -54.6 0.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 25.4 m-85 -60.79 -64.22 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.7 mp -35.01 -47.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 14.2 mm-40 -71.12 -39.73 71.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 66' ' ' PHE . 8.2 ttt -62.84 -55.85 22.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -44.89 -43.49 8.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 6.1 pt-20 -75.83 -32.07 59.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 32.0 mttm -66.27 -30.1 70.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.062 HD22 HD23 ' A' ' 99' ' ' LEU . 4.2 pp -96.54 -36.44 10.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.607 ' N ' HD12 ' A' ' 73' ' ' LEU . 13.7 mt-10 -57.33 -54.93 41.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -48.41 -56.16 8.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 77' ' ' LEU . 91.1 mt -41.01 -40.81 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.847 HD13 HG11 ' A' ' 96' ' ' VAL . 32.0 tp -35.92 -38.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.519 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.8 pp0? -45.49 -49.7 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.657 ' OD1' HG13 ' A' ' 37' ' ' VAL . 6.6 m-20 -40.54 -39.18 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.598 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -79.92 -58.06 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.52 ' CE1' HD21 ' A' ' 77' ' ' LEU . 10.1 m170 -58.78 -11.09 2.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -84.43 -69.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.746 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -94.88 -53.16 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.703 ' HB3' HG22 ' A' ' 89' ' ' VAL . 3.9 t -50.19 155.66 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' GLU . 1.1 m-20 -107.78 153.06 23.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 85' ' ' ASP . 24.9 p -35.12 -31.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ASP . 7.1 tp10 -66.33 -65.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -62.76 -43.44 98.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.942 HG12 HG23 ' A' ' 93' ' ' VAL . 35.2 t -54.14 -45.57 66.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.5 t -39.7 -38.8 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -64.79 -58.06 7.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 95' ' ' LEU . 20.6 mm -60.47 -53.91 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.942 HG23 HG12 ' A' ' 89' ' ' VAL . 10.5 t -37.51 -42.09 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -58.98 -44.09 91.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.728 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.6 mp -64.13 -63.85 1.04 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.847 HG11 HD13 ' A' ' 77' ' ' LEU . 4.0 p -45.03 -36.6 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -75.8 -63.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 101' ' ' ILE . 10.1 mttm -43.64 -48.63 7.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 1.062 HD23 HD22 ' A' ' 73' ' ' LEU . 15.3 tp -46.39 -40.37 11.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.806 HD21 HD11 ' A' ' 73' ' ' LEU . 10.3 mt -75.24 -23.32 57.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 98' ' ' LYS . 6.9 mt -84.53 -21.75 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.655 HG21 ' HG ' ' A' ' 18' ' ' LEU . 15.4 mt -86.22 -62.88 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 21.3 pt -53.87 -34.0 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 103' ' ' ILE . 22.1 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.421 ' CE ' ' HA ' ' A' ' 103' ' ' ILE . 6.7 ttt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.746 0.308 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -47.23 -50.71 20.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.72 -41.1 12.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.462 ' HB2' HG23 ' A' ' 102' ' ' ILE . 61.0 mtt-85 -63.33 -57.57 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.856 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.507 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.8 mt -39.68 -38.71 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -61.24 -51.33 69.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -65.62 -31.6 72.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -56.7 -45.58 81.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.1 mt -78.09 -46.62 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.1 m -50.05 -25.91 3.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.51 -40.01 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.072 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.755 ' HB3' HD21 ' A' ' 95' ' ' LEU . 14.7 m-85 -112.72 76.79 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.81 124.13 29.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 111.094 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.656 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.154 0 C-N-CA 122.682 2.254 . . . . 0.0 112.388 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.729 HG13 ' OD1' ' A' ' 79' ' ' ASP . 13.7 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.881 0.372 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.643 ' C ' HD13 ' A' ' 38' ' ' LEU . 2.1 tm? -36.67 -50.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.49 -37.66 95.05 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.414 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' VAL . 8.6 t80 -40.36 -34.13 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.619 HD11 ' HB2' ' A' ' 79' ' ' ASP . 14.1 mt -67.84 -60.69 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -47.25 -44.24 22.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.82 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -66.23 -43.81 85.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.447 ' NE2' ' CE2' ' A' ' 40' ' ' PHE . 44.3 mt-30 -64.14 -63.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.778 HG23 HD22 ' A' ' 99' ' ' LEU . 77.1 mt -46.03 -67.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.656 HG21 ' HD3' ' A' ' 27' ' ' PRO . 14.2 t -36.49 -45.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -65.18 -41.41 94.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 45' ' ' ILE . 16.6 mt -62.67 -51.87 65.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.575 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -45.09 -51.24 10.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -47.06 -53.52 12.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.2 -51.42 18.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.6 t -47.37 -55.1 9.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.507 HD21 ' HB2' ' A' ' 18' ' ' LEU . 21.8 mt -43.81 -62.7 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.13 -36.49 8.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.722 ' HB2' HG13 ' A' ' 61' ' ' VAL . 16.8 mmtp -69.16 -64.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.0 m -43.21 -42.8 4.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.0 -37.7 54.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.415 ' HB2' HD21 ' A' ' 60' ' ' LEU . 12.1 mm-40 -105.49 0.39 26.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 68.7 46.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.437 ' N ' HD23 ' A' ' 60' ' ' LEU . 5.9 mt -95.96 -24.95 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.722 HG13 ' HB2' ' A' ' 55' ' ' LYS . 18.9 m -65.34 123.98 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.155 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' SER . 44.7 p -123.88 161.28 25.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 62' ' ' THR . 22.2 p -35.1 -51.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' TYR . 5.0 tpt85 -58.61 -57.32 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.621 ' CE2' HG12 ' A' ' 61' ' ' VAL . 61.6 t80 -35.32 -48.85 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 20.5 m-85 -69.0 -63.69 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.4 mp -35.17 -47.2 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -72.19 -51.37 21.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.539 ' HG3' HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -47.88 -49.08 30.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -53.25 -45.3 68.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -71.16 -36.27 71.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -62.54 -41.71 99.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.008 HD22 HD23 ' A' ' 99' ' ' LEU . 3.8 pp -83.46 -43.16 16.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.681 ' N ' HD12 ' A' ' 73' ' ' LEU . 17.7 mt-10 -48.87 -64.36 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -40.58 -57.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 73' ' ' LEU . 83.9 mt -39.09 -40.61 0.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.888 HD13 HG11 ' A' ' 96' ' ' VAL . 32.3 tp -35.6 -41.42 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.533 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 5.1 pp0? -43.49 -48.52 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.729 ' OD1' HG13 ' A' ' 37' ' ' VAL . 5.2 m-20 -39.61 -38.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.531 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -82.9 -57.03 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -7.95 5.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 78' ' ' GLN . 52.1 mm-40 -84.09 -62.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.645 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -106.15 -58.82 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.557 ' HB3' HG22 ' A' ' 89' ' ' VAL . 24.3 t -40.64 152.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.737 ' O ' HG23 ' A' ' 89' ' ' VAL . 8.5 t70 -97.77 157.79 15.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.0 p -40.12 -24.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 85' ' ' ASP . 2.9 mp0 -71.83 -66.34 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -63.5 -36.22 83.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 85' ' ' ASP . 21.7 t -60.29 -38.61 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.6 t -50.61 -48.55 57.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -54.61 -62.38 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.4 mm -52.53 -48.86 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 89' ' ' VAL . 49.9 t -42.67 -52.98 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -48.81 -45.35 40.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.755 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.8 mp -63.79 -72.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.888 HG11 HD13 ' A' ' 77' ' ' LEU . 6.0 p -38.58 -36.7 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -74.8 -64.51 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 101' ' ' ILE . 9.4 mttm -43.33 -51.09 6.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 1.008 HD23 HD22 ' A' ' 73' ' ' LEU . 31.0 tp -42.25 -46.14 4.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.006 HD21 HD11 ' A' ' 73' ' ' LEU . 12.2 mt -70.81 -27.18 63.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 98' ' ' LYS . 17.1 mt -77.45 -29.51 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.462 HG23 ' HB2' ' A' ' 17' ' ' ARG . 9.9 mt -81.02 -63.2 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.568 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 25.7 pt -51.27 -28.63 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' ARG . 5.6 ttt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.743 0.306 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.573 ' O ' HD21 ' A' ' 53' ' ' LEU . 20.5 mt-10 -38.58 -48.18 1.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.37 -38.54 62.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' MET . 73.9 mtt-85 -64.56 -57.44 9.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.855 0.359 . . . . 0.0 110.82 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mt -39.91 -40.36 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -58.02 -54.38 47.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -65.1 -32.55 74.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -54.83 -44.35 73.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.714 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.1 mt -78.02 -47.86 17.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.6 m -50.5 -26.1 4.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.39 -35.11 11.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.668 ' HB3' HD21 ' A' ' 95' ' ' LEU . 19.4 m-85 -114.3 69.31 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -110.76 121.87 39.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.68 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.176 0 C-N-CA 122.727 2.285 . . . . 0.0 112.283 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.711 HG13 ' OD1' ' A' ' 79' ' ' ASP . 4.8 t . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.879 0.371 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.645 HD13 ' N ' ' A' ' 39' ' ' GLY . 1.5 tm? -35.7 -58.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.645 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -56.1 -35.43 64.51 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.547 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 37' ' ' VAL . 6.1 t80 -40.74 -26.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.328 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.546 HD11 ' N ' ' A' ' 80' ' ' ALA . 10.1 mt -79.34 -55.17 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.693 ' O ' HG23 ' A' ' 46' ' ' VAL . 21.0 t-160 -49.57 -50.07 43.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -62.29 -49.34 76.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.415 ' OE1' HD22 ' A' ' 76' ' ' LEU . 66.2 mt-30 -56.73 -64.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.653 HG23 HD22 ' A' ' 99' ' ' LEU . 96.0 mt -48.23 -59.27 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 42' ' ' HIS . 55.4 t -41.76 -35.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -75.23 -40.37 59.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.2 mt -60.45 -46.94 88.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.714 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -49.1 -52.86 23.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -47.26 -52.86 14.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -46.61 -48.22 19.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 55' ' ' LYS . 4.1 t -51.12 -62.58 1.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.573 HD21 ' O ' ' A' ' 15' ' ' GLU . 18.3 mt -36.48 -59.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.92 -38.56 61.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.713 ' CB ' HG13 ' A' ' 61' ' ' VAL . 21.3 mmtm -64.83 -60.86 2.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.0 m -49.38 -42.24 41.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.26 -37.41 59.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -107.22 10.14 29.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.4 ' C ' HD23 ' A' ' 60' ' ' LEU . 5.0 m120 60.37 52.69 4.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.531 ' O ' HG23 ' A' ' 62' ' ' THR . 7.0 mt -103.41 -27.84 12.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.872 HG12 ' CE2' ' A' ' 65' ' ' TYR . 18.1 m -61.58 108.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 60' ' ' LEU . 35.2 p -115.54 164.37 14.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 62' ' ' THR . 14.4 t -34.45 -62.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -49.02 -49.1 42.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.872 ' CE2' HG12 ' A' ' 61' ' ' VAL . 35.7 t80 -43.49 -58.43 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.576 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.8 m-85 -63.79 -60.81 2.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' PHE . 14.1 mt -37.56 -53.33 1.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.48 -37.71 74.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -58.48 -37.98 76.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -69.68 -44.59 70.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -71.4 -26.59 62.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -72.97 -38.82 66.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.983 HD22 HD23 ' A' ' 99' ' ' LEU . 3.8 pp -86.44 -46.65 10.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.725 ' N ' HD12 ' A' ' 73' ' ' LEU . 16.4 mt-10 -44.04 -61.11 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -44.23 -53.96 6.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 77' ' ' LEU . 85.8 mt -42.19 -40.39 2.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.78 HD13 HG11 ' A' ' 96' ' ' VAL . 30.9 tp -35.97 -35.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.522 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.5 pp0? -49.24 -49.69 42.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.711 ' OD1' HG13 ' A' ' 37' ' ' VAL . 9.0 m-20 -41.02 -34.77 0.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.837 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.562 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -84.97 -59.7 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.461 ' HE1' HD11 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -60.82 -8.9 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' GLN . 11.1 mm-40 -82.84 -68.18 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.63 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -101.02 -51.7 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.729 ' HB3' HG22 ' A' ' 89' ' ' VAL . 4.7 t -45.94 152.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.76 ' O ' HG23 ' A' ' 89' ' ' VAL . 27.1 t0 -99.65 154.29 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.486 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 16.2 m -38.59 -26.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 85' ' ' ASP . 28.4 tt0 -69.39 -66.05 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.55 -37.52 87.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 85' ' ' ASP . 17.9 t -58.3 -35.99 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.5 t -53.64 -47.81 69.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -55.16 -59.84 4.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.9 mm -56.09 -53.38 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.527 HG23 HG12 ' A' ' 89' ' ' VAL . 12.6 t -37.8 -46.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -53.84 -46.41 71.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.668 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.5 mp -62.83 -72.49 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.78 HG11 HD13 ' A' ' 77' ' ' LEU . 5.3 p -36.36 -36.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -76.07 -66.69 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 101' ' ' ILE . 8.7 mttm -41.77 -49.86 4.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.983 HD23 HD22 ' A' ' 73' ' ' LEU . 18.6 tp -42.51 -47.61 5.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.808 HD21 HD11 ' A' ' 73' ' ' LEU . 10.8 mt -69.58 -25.38 63.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 98' ' ' LYS . 6.7 mt -82.26 -18.99 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.8 mt -92.93 -63.17 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.576 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 28.9 pt -48.6 -26.29 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.882 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.579 ' SD ' HD12 ' A' ' 18' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.761 0.315 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.472 ' CG ' ' HB3' ' A' ' 56' ' ' SER . 20.5 mt-10 -37.38 -60.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.47 -40.91 3.9 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.431 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 18' ' ' LEU . 59.6 mtt-85 -64.12 -60.77 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.87 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.579 HD12 ' SD ' ' A' ' 14' ' ' MET . 9.5 mt -36.14 -38.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -60.52 -51.91 67.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 17' ' ' ARG . 8.9 tt0 -62.87 -30.1 71.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -61.04 -45.21 95.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.566 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.5 mt -75.94 -42.25 49.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.1 m -55.43 -22.28 19.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.55 -35.63 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.765 ' HB3' HD21 ' A' ' 95' ' ' LEU . 17.6 m-85 -118.2 92.54 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.76 129.85 23.48 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.789 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.136 0 C-N-CA 122.711 2.274 . . . . 0.0 112.314 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.689 HG13 ' OD1' ' A' ' 79' ' ' ASP . 9.6 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.78 0.324 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.549 ' C ' HD13 ' A' ' 38' ' ' LEU . 2.2 tm? -35.95 -53.25 0.76 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.77 -37.87 93.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.613 ' CE2' ' NE2' ' A' ' 44' ' ' GLN . 22.7 t80 -40.03 -29.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 110.878 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.611 HD11 ' HB2' ' A' ' 79' ' ' ASP . 8.1 mt -74.94 -53.94 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.414 ' HE1' ' C ' ' A' ' 25' ' ' TYR . 4.4 t60 -51.67 -43.66 62.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -68.39 -43.07 78.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.613 ' NE2' ' CE2' ' A' ' 40' ' ' PHE . 61.8 mt-30 -65.03 -64.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.651 HG23 HD22 ' A' ' 99' ' ' LEU . 89.1 mt -45.56 -59.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.789 HG21 ' HD3' ' A' ' 27' ' ' PRO . 15.1 t -43.69 -41.23 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.71 -44.77 76.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.2 mt -60.64 -34.82 74.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.566 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -60.48 -49.45 77.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -50.83 -50.02 57.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -51.31 -47.92 62.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.8 t -50.59 -48.14 57.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.431 HD21 ' HB2' ' A' ' 18' ' ' LEU . 20.4 mt -50.8 -62.62 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.19 -34.77 6.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.664 ' HB2' HG13 ' A' ' 61' ' ' VAL . 17.4 mmtp -69.24 -56.59 7.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.472 ' HB3' ' CG ' ' A' ' 15' ' ' GLU . 3.5 m -50.11 -41.55 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.435 ' N ' ' OE2' ' A' ' 15' ' ' GLU . . . -55.53 -41.2 80.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.497 ' HB2' HD21 ' A' ' 60' ' ' LEU . 3.3 mt-10 -99.13 -2.29 37.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 110.883 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.42 ' C ' HD23 ' A' ' 60' ' ' LEU . 19.3 t-20 69.42 50.17 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 58' ' ' GLU . 5.0 mt -99.47 -22.42 15.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.842 HG12 ' CE2' ' A' ' 65' ' ' TYR . 28.7 m -68.29 116.59 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 63' ' ' SER . 73.6 p -122.31 164.7 17.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.147 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 62' ' ' THR . 44.3 t -34.91 -51.83 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 65' ' ' TYR . 9.9 tpt180 -60.26 -57.39 12.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.842 ' CE2' HG12 ' A' ' 61' ' ' VAL . 29.0 t80 -35.9 -56.07 0.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.47 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 22.7 m-85 -59.88 -59.23 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PHE . 3.5 mt -37.3 -60.83 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -57.04 -50.83 71.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.538 ' HG3' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -49.55 -34.91 18.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.407 ' CG ' HD22 ' A' ' 100' ' ' LEU . 21.4 mt-30 -70.02 -45.79 66.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -70.04 -27.09 64.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -75.2 -38.66 60.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.807 HD22 HD23 ' A' ' 99' ' ' LEU . 4.3 pp -84.84 -34.3 22.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.578 ' N ' HD12 ' A' ' 73' ' ' LEU . 12.3 mt-10 -58.92 -56.96 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -48.75 -55.13 12.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 77' ' ' LEU . 95.7 mt -41.94 -39.97 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.757 HD13 HG11 ' A' ' 96' ' ' VAL . 32.3 tp -36.28 -39.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.541 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 5.2 pp0? -44.34 -48.2 9.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.689 ' OD1' HG13 ' A' ' 37' ' ' VAL . 5.4 m-20 -39.7 -39.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.559 ' HB1' HG13 ' A' ' 89' ' ' VAL . . . -84.43 -55.89 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.105 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.682 ' CE1' HD21 ' A' ' 77' ' ' LEU . 10.8 m170 -60.45 -9.43 3.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 78' ' ' GLN . 12.2 mt-10 -86.29 -63.04 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.583 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -101.2 -65.64 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.8 ' HB3' HG22 ' A' ' 89' ' ' VAL . 8.8 t -35.67 148.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.658 ' O ' HG23 ' A' ' 89' ' ' VAL . 10.7 m-20 -95.47 152.47 18.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 85' ' ' ASP . 13.6 t -32.48 -35.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -64.83 -66.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.429 ' CB ' ' OG ' ' A' ' 84' ' ' SER . 17.1 mp0 -59.86 -38.74 83.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.8 HG22 ' HB3' ' A' ' 84' ' ' SER . 6.5 t -64.38 -35.86 75.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.6 m -55.81 -25.95 44.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -76.1 -54.02 7.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.6 mm -62.31 -48.64 87.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.532 HG23 HG12 ' A' ' 89' ' ' VAL . 10.7 t -39.86 -41.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -57.96 -45.59 86.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.765 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.6 mp -61.88 -68.85 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.757 HG11 HD13 ' A' ' 77' ' ' LEU . 7.6 p -41.22 -36.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -73.58 -61.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 101' ' ' ILE . 12.5 mttm -45.07 -53.61 7.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.807 HD23 HD22 ' A' ' 73' ' ' LEU . 19.6 tp -40.78 -41.26 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.75 HD21 HD11 ' A' ' 73' ' ' LEU . 34.6 mt -73.59 -31.23 63.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.49 ' N ' ' O ' ' A' ' 98' ' ' LYS . 8.6 mt -77.95 -20.78 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.5 mt -90.49 -58.4 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.669 HG23 ' O ' ' A' ' 99' ' ' LEU . 12.4 pt -57.25 -29.08 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.877 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' GLU . 6.0 ttt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.765 0.317 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' MET . 43.4 mt-10 -38.31 -59.31 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -40.78 -37.35 1.3 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -67.69 -60.73 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.825 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.568 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.2 mt -40.43 -33.08 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -64.08 -49.61 71.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -64.75 -30.05 71.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -60.58 -49.29 78.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.697 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.7 mt -72.8 -43.58 62.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.0 m -56.26 -21.6 24.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.35 -28.32 12.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.606 ' HB3' HD21 ' A' ' 95' ' ' LEU . 20.9 m-85 -122.48 87.5 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.19 127.68 21.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 111.076 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.569 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.517 HG13 ' CG ' ' A' ' 79' ' ' ASP . 2.3 t . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.832 0.349 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.687 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.7 tm? -45.08 -42.77 8.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.15 -29.12 72.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -54.63 -24.43 21.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.615 HD11 ' CB ' ' A' ' 79' ' ' ASP . 7.1 mt -75.23 -49.96 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -53.66 -49.65 67.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -60.73 -44.17 96.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.414 ' OE1' HD22 ' A' ' 76' ' ' LEU . 52.6 mt-30 -62.13 -58.92 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.538 HG23 HD22 ' A' ' 99' ' ' LEU . 63.7 mt -52.58 -61.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.569 HG21 ' HD3' ' A' ' 27' ' ' PRO . 22.0 t -41.33 -35.35 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.29 -36.95 53.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.5 mt -64.64 -45.43 86.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.697 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -51.95 -47.22 64.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.072 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 43.1 mtp85 -50.17 -50.52 48.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -49.17 -46.87 46.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.5 t -52.19 -49.35 64.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.568 HD21 ' HB2' ' A' ' 18' ' ' LEU . 35.5 mt -54.06 -56.45 17.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.7 -37.52 63.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.734 ' CB ' HG13 ' A' ' 61' ' ' VAL . 26.0 mmtm -66.62 -62.73 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.2 t -49.52 -42.77 44.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -52.43 -24.44 16.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -119.83 -0.61 10.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 t30 73.57 39.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 mt -90.97 -24.47 20.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.734 HG13 ' CB ' ' A' ' 55' ' ' LYS . 21.0 m -68.35 121.68 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.145 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 63' ' ' SER . 62.1 p -120.25 156.73 30.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.686 ' O ' HD23 ' A' ' 67' ' ' LEU . 32.0 t -36.19 -44.02 0.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 65' ' ' TYR . 11.5 tpp180 -68.72 -51.86 36.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.581 ' CE2' HG12 ' A' ' 61' ' ' VAL . 86.3 t80 -35.54 -53.89 0.68 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 69' ' ' MET . 23.5 m-85 -61.09 -60.05 4.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 63' ' ' SER . 3.5 mm? -34.32 -54.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -66.18 -37.53 85.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 66' ' ' PHE . 19.8 ttt -63.28 -33.54 75.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -68.57 -32.91 73.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -84.26 -26.74 28.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -73.48 -29.05 62.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.835 HD11 HD21 ' A' ' 100' ' ' LEU . 4.0 pp -94.39 -42.24 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.967 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.689 ' N ' HD12 ' A' ' 73' ' ' LEU . 17.1 mt-10 -55.27 -57.1 13.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -45.68 -55.34 6.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.504 ' HB3' HG23 ' A' ' 41' ' ' ILE . 95.9 mt -42.58 -41.42 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.803 HD13 HG11 ' A' ' 96' ' ' VAL . 26.4 tp -35.78 -35.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.474 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.2 pp0? -47.49 -52.14 18.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.615 ' CB ' HD11 ' A' ' 41' ' ' ILE . 9.9 m-20 -43.51 -29.53 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.591 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -88.75 -55.42 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.083 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.502 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 13.1 m170 -62.65 -7.78 5.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -86.0 -61.48 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.485 ' O ' ' C ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -102.16 -73.39 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.853 ' OG ' HG22 ' A' ' 89' ' ' VAL . 5.1 p -31.11 144.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.813 ' O ' HG23 ' A' ' 89' ' ' VAL . 0.6 OUTLIER -94.69 158.43 15.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 85' ' ' ASP . 40.8 t -36.24 -28.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 85' ' ' ASP . 3.0 tp10 -71.16 -60.73 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -65.54 -29.26 69.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.9 HG12 HG23 ' A' ' 93' ' ' VAL . 15.7 t -65.17 -48.43 83.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.161 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 89' ' ' VAL . 8.6 t -36.93 -48.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -52.58 -66.98 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 93' ' ' VAL . 5.4 mm -54.7 -57.97 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.9 HG23 HG12 ' A' ' 89' ' ' VAL . 7.7 t -35.79 -51.05 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.062 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -51.43 -47.19 63.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.606 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.1 mp -63.7 -70.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.803 HG11 HD13 ' A' ' 77' ' ' LEU . 3.0 p -36.1 -37.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.617 HH11 HD11 ' A' ' 101' ' ' ILE . 7.7 ttm-85 -77.85 -61.79 1.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 101' ' ' ILE . 27.4 mttp -44.07 -48.89 8.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.702 HD23 HD22 ' A' ' 73' ' ' LEU . 13.4 tp -45.02 -44.99 10.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.835 HD21 HD11 ' A' ' 73' ' ' LEU . 10.2 mt -71.17 -24.2 62.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.617 HD11 HH11 ' A' ' 97' ' ' ARG . 10.0 mt -80.67 -19.25 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.6 mt -93.87 -63.05 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.554 HG23 ' O ' ' A' ' 99' ' ' LEU . 6.2 pt -50.35 -30.8 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.161 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.887 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.8 ttp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.767 0.318 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -44.64 -57.39 3.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.59 -40.52 11.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -63.35 -55.74 22.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.565 ' HG ' HG21 ' A' ' 102' ' ' ILE . 3.9 mt -46.89 -32.34 3.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -63.9 -56.85 12.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -59.72 -31.47 69.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -55.98 -46.77 78.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.513 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.7 mt -75.31 -46.35 33.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.0 m -52.21 -23.29 5.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.46 -30.68 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.665 ' HB3' HD21 ' A' ' 95' ' ' LEU . 19.2 m-85 -123.09 100.65 6.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -149.17 138.22 12.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.554 0.692 . . . . 0.0 111.102 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.301 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.733 HG13 ' OD1' ' A' ' 79' ' ' ASP . 4.5 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.879 0.371 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.548 ' C ' HD13 ' A' ' 38' ' ' LEU . 2.3 tm? -39.96 -47.39 2.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' ILE . . . -64.48 -39.63 97.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.543 ' CE2' ' NE2' ' A' ' 44' ' ' GLN . 40.5 t80 -40.6 -24.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.626 HD11 ' CB ' ' A' ' 79' ' ' ASP . 6.4 mt -81.44 -49.78 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -55.79 -47.88 76.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -62.47 -46.33 88.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.543 ' NE2' ' CE2' ' A' ' 40' ' ' PHE . 64.4 mt-30 -59.36 -66.78 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.553 HG23 HD22 ' A' ' 99' ' ' LEU . 96.6 mt -45.26 -67.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.413 HG21 ' HD3' ' A' ' 27' ' ' PRO . 17.5 t -37.21 -38.85 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -74.01 -39.99 63.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 45' ' ' ILE . 13.2 mt -61.92 -52.36 64.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.513 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -43.16 -47.02 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.058 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.4 mtp85 -48.05 -51.0 26.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.08 -48.91 43.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 t -51.23 -47.77 62.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.4 mt -53.22 -59.54 4.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.04 -35.77 59.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.733 ' CB ' HG13 ' A' ' 61' ' ' VAL . 25.6 mmtm -69.63 -67.37 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.3 t -44.69 -40.22 5.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.05 -35.23 53.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.448 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -111.08 8.43 21.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.32 46.22 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mt -96.86 -21.06 17.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.733 HG13 ' CB ' ' A' ' 55' ' ' LYS . 26.5 m -73.75 128.12 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' SER . 43.8 p -129.34 165.87 20.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.413 ' O ' HD12 ' A' ' 67' ' ' LEU . 13.2 t -36.72 -58.61 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 65' ' ' TYR . 7.9 tpt180 -53.61 -56.89 13.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.658 ' CE2' HG12 ' A' ' 61' ' ' VAL . 85.1 t80 -35.01 -52.2 0.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.489 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 23.6 m-85 -67.86 -61.04 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.6 mp -34.75 -49.67 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -72.59 -52.87 13.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.6 ttt -44.71 -41.32 6.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -61.53 -45.84 92.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -72.52 -26.43 61.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -73.36 -35.83 66.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.05 HD22 HD23 ' A' ' 99' ' ' LEU . 4.3 pp -90.41 -36.98 14.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.701 ' N ' HD12 ' A' ' 73' ' ' LEU . 13.7 mt-10 -56.52 -61.37 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -41.81 -52.4 4.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.493 HD22 ' OE1' ' A' ' 44' ' ' GLN . 71.0 mt -43.48 -43.69 5.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.879 HD13 HG11 ' A' ' 96' ' ' VAL . 17.4 tp -36.14 -34.3 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.534 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 5.0 pp0? -48.13 -51.17 25.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.733 ' OD1' HG13 ' A' ' 37' ' ' VAL . 4.8 m-20 -40.44 -38.7 0.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.579 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -78.66 -58.79 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -61.34 -8.18 3.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' GLN . 2.8 mm-40 -85.6 -54.28 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.635 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -112.8 -63.59 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 83' ' ' ARG . 23.1 t -37.18 155.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.841 ' O ' HG23 ' A' ' 89' ' ' VAL . 23.7 m-20 -102.85 152.48 21.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.7 p -38.59 -26.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 85' ' ' ASP . 7.4 pt-20 -69.32 -56.91 6.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -73.48 -30.45 63.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.869 HG12 HG23 ' A' ' 93' ' ' VAL . 16.2 t -59.25 -48.22 87.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 89' ' ' VAL . 18.5 t -37.21 -50.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.804 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -52.57 -67.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 93' ' ' VAL . 4.7 mm -52.83 -57.09 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.869 HG23 HG12 ' A' ' 89' ' ' VAL . 4.1 t -36.18 -49.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -53.42 -48.17 68.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.665 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.5 mp -59.17 -69.2 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.879 HG11 HD13 ' A' ' 77' ' ' LEU . 2.7 p -39.54 -38.44 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.634 ' HE ' HD11 ' A' ' 101' ' ' ILE . 4.7 ttt180 -73.07 -66.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 101' ' ' ILE . 12.9 mttm -40.18 -54.47 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 1.05 HD23 HD22 ' A' ' 73' ' ' LEU . 14.9 tp -40.09 -45.43 1.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.798 HD21 HD11 ' A' ' 73' ' ' LEU . 10.8 mt -71.0 -32.4 69.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.634 HD11 ' HE ' ' A' ' 97' ' ' ARG . 3.0 mt -73.94 -23.44 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.565 HG21 ' HG ' ' A' ' 18' ' ' LEU . 12.8 mt -87.89 -60.85 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.655 HG23 ' O ' ' A' ' 99' ' ' LEU . 6.2 pt -53.59 -27.55 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.9 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.857 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.8 ttt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.752 0.31 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -46.48 -48.56 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.05 -29.44 35.64 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HB2' HG23 ' A' ' 102' ' ' ILE . 70.5 mtp180 -72.43 -61.27 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.526 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.4 mt -37.49 -34.93 0.11 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -62.86 -55.69 24.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -61.61 -31.57 71.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -56.47 -47.25 79.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.583 HD13 ' HD3' ' A' ' 50' ' ' ARG . 1.4 mt -75.83 -47.12 26.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.5 m -49.75 -23.25 1.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.81 -32.9 10.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.64 ' HB3' HD21 ' A' ' 95' ' ' LEU . 17.4 m-85 -113.66 71.56 0.75 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.3 120.5 36.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.446 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.495 HG12 ' HG3' ' A' ' 83' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.858 0.361 . . . . 0.0 111.12 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.735 ' C ' HD13 ' A' ' 38' ' ' LEU . 2.4 tm? -37.1 -54.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.78 -36.53 55.3 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 37' ' ' VAL . 4.9 t80 -45.34 -31.59 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.718 HD11 ' HB2' ' A' ' 79' ' ' ASP . 12.2 mt -74.5 -57.12 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -48.14 -48.99 33.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -63.26 -47.55 81.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.44 ' OE1' HD22 ' A' ' 76' ' ' LEU . 61.0 mt-30 -57.12 -60.25 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.638 HG23 HD22 ' A' ' 99' ' ' LEU . 84.5 mt -50.83 -64.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.446 HG21 ' HD3' ' A' ' 27' ' ' PRO . 25.2 t -40.73 -41.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -68.91 -42.42 76.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.7 mt -60.75 -55.15 36.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.966 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.535 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -40.2 -49.17 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.583 ' HD3' HD13 ' A' ' 22' ' ' LEU . 32.0 mmm-85 -47.84 -51.47 22.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.76 -43.94 38.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.9 t -51.52 -62.35 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.526 HD21 ' HB2' ' A' ' 18' ' ' LEU . 21.3 mt -43.82 -58.9 2.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.52 -26.6 5.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.157 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.662 ' CB ' HG13 ' A' ' 61' ' ' VAL . 25.1 mmtm -84.44 -61.55 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.7 t -48.23 -34.89 10.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.48 -35.76 89.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -108.03 5.54 26.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.405 ' C ' HD23 ' A' ' 60' ' ' LEU . 2.7 t-20 66.82 47.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.459 ' N ' HD23 ' A' ' 60' ' ' LEU . 5.6 mt -100.17 -12.5 19.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.662 HG13 ' CB ' ' A' ' 55' ' ' LYS . 35.5 m -82.67 122.47 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 63' ' ' SER . 68.0 p -123.39 162.87 21.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 62' ' ' THR . 4.5 t -34.64 -57.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' TYR . 17.3 tpp180 -54.1 -55.96 22.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.573 ' CE2' HG12 ' A' ' 61' ' ' VAL . 76.3 t80 -35.36 -61.65 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.473 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 23.2 m-85 -56.48 -64.09 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.6 mp -34.47 -53.57 0.52 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.41 -40.85 89.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 66' ' ' PHE . 13.7 ttt -57.84 -43.82 86.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -59.74 -63.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -52.18 -30.05 25.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -68.64 -59.35 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.858 HD11 HD21 ' A' ' 100' ' ' LEU . 2.2 pp -66.78 -53.96 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.751 ' N ' HD12 ' A' ' 73' ' ' LEU . 26.5 mt-10 -43.06 -57.27 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -43.88 -54.81 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.44 HD22 ' OE1' ' A' ' 44' ' ' GLN . 71.7 mt -40.76 -39.14 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.676 HD13 HG11 ' A' ' 96' ' ' VAL . 34.4 tp -35.88 -37.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.08 -48.96 16.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.718 ' HB2' HD11 ' A' ' 41' ' ' ILE . 8.7 m-20 -45.26 -40.84 7.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.486 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -77.94 -55.75 5.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.642 ' CE1' HD21 ' A' ' 77' ' ' LEU . 13.7 m170 -60.7 -9.18 3.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -87.55 -67.81 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.495 ' HG3' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -95.28 -68.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 83' ' ' ARG . 41.1 t -33.15 141.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' GLU . 19.0 t70 -89.17 152.86 21.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 85' ' ' ASP . 87.1 p -36.36 -30.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ASP . 4.4 tm-20 -65.09 -60.46 3.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -68.47 -42.72 78.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.499 HG12 HG23 ' A' ' 93' ' ' VAL . 58.6 t -53.21 -47.22 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -42.89 -42.68 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -59.9 -68.89 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.0 mm -47.74 -49.41 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.499 HG23 HG12 ' A' ' 89' ' ' VAL . 10.2 t -41.46 -47.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -53.6 -46.17 70.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.64 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.3 mp -63.34 -70.34 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.676 HG11 HD13 ' A' ' 77' ' ' LEU . 5.6 p -36.14 -37.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -77.22 -61.07 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 101' ' ' ILE . 27.5 mttp -45.38 -52.22 10.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.81 HD23 HD22 ' A' ' 73' ' ' LEU . 14.8 tp -44.89 -36.5 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.858 HD21 HD11 ' A' ' 73' ' ' LEU . 16.6 mt -78.02 -27.51 48.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' LYS . 12.3 mt -79.65 -16.63 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.433 HG21 ' HG ' ' A' ' 18' ' ' LEU . 9.5 mt -95.99 -62.69 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.671 HG23 ' O ' ' A' ' 99' ' ' LEU . 16.0 pt -48.75 -29.7 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.931 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -56.79 176.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.918 0.39 . . . . 0.0 110.823 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 p -105.34 45.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.818 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.29 79.81 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 p -104.25 175.06 5.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -96.19 41.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.47 148.8 0.65 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.412 ' HB2' ' CB ' ' A' ' 12' ' ' ALA . 53.9 Cg_endo -69.73 138.65 38.43 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -107.43 -66.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.81 135.76 34.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.452 HG22 ' HB3' ' A' ' 14' ' ' MET . 3.7 m 62.35 27.36 16.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.412 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . . . -65.74 -57.7 7.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -38.67 -47.17 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.452 ' HB3' HG22 ' A' ' 11' ' ' THR . 4.9 ttp -61.96 -49.19 77.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -45.37 -58.23 3.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.99 -37.03 0.93 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.569 ' HB2' HG23 ' A' ' 102' ' ' ILE . 42.8 mtp85 -64.49 -60.69 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.854 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.647 ' HG ' HG21 ' A' ' 102' ' ' ILE . 3.1 mt -44.51 -31.92 1.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -63.95 -47.73 79.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -68.53 -28.75 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -57.81 -47.6 82.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.638 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.5 mt -74.98 -43.97 50.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.438 ' O ' ' CZ ' ' A' ' 30' ' ' ARG . 26.9 m -54.27 -22.28 11.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.75 -28.89 12.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.652 ' HB3' HD21 ' A' ' 95' ' ' LEU . 21.2 m-85 -123.75 92.84 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.63 125.17 22.21 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.572 0.701 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.596 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.0 Cg_endo -69.77 123.53 10.19 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.2 -52.03 2.93 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.38 -25.6 6.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.76 0.314 . . . . 0.0 111.101 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.438 ' CZ ' ' O ' ' A' ' 23' ' ' THR . 22.4 mtt-85 -131.02 -74.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.821 ' H ' HD23 ' A' ' 31' ' ' LEU . 2.3 pt? -121.42 179.64 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -160.71 150.48 17.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' ASP . 9.8 mt -117.42 108.31 15.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -35.23 -34.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' LEU . 7.4 t0 -54.52 117.82 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.78 -68.02 1.79 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.777 HG11 ' HD3' ' A' ' 83' ' ' ARG . 5.0 t -51.21 -67.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 111.132 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.836 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.6 tm? -37.22 -47.06 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 41' ' ' ILE . . . -62.32 -36.41 93.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 37' ' ' VAL . 14.4 t80 -45.39 -21.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.595 HD11 ' HB2' ' A' ' 79' ' ' ASP . 6.2 mt -82.63 -49.33 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.482 ' O ' HG23 ' A' ' 46' ' ' VAL . 4.8 t60 -56.83 -41.24 77.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -69.51 -44.4 71.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.484 ' OE1' HD22 ' A' ' 76' ' ' LEU . 71.0 mt-30 -63.0 -64.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.571 HG23 HD22 ' A' ' 99' ' ' LEU . 83.8 mt -47.07 -65.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.596 HG21 ' HD3' ' A' ' 27' ' ' PRO . 39.1 t -37.28 -41.5 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -71.04 -42.69 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' ILE . 13.0 mt -58.62 -39.86 81.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.638 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -55.52 -52.54 63.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -44.36 -47.91 9.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.74 -49.77 64.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.1 t -49.51 -51.75 34.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.1 mt -50.62 -59.63 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.32 -32.74 50.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.716 ' CB ' HG13 ' A' ' 61' ' ' VAL . 43.6 mmtt -71.01 -66.14 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.4 m -46.01 -40.66 10.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.0 -34.72 52.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -111.85 9.97 20.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.442 ' O ' ' ND2' ' A' ' 59' ' ' ASN . 0.5 OUTLIER 63.94 44.28 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.425 ' N ' HD23 ' A' ' 60' ' ' LEU . 5.3 mt -93.93 -20.83 19.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.716 HG13 ' CB ' ' A' ' 55' ' ' LYS . 32.5 m -75.15 128.27 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.6 p -131.56 174.21 10.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -44.33 -59.69 2.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 65' ' ' TYR . 8.7 tpp180 -52.85 -54.1 39.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.479 ' CE2' HG12 ' A' ' 61' ' ' VAL . 55.5 t80 -36.15 -59.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.426 ' O ' ' C ' ' A' ' 67' ' ' LEU . 21.2 m-85 -61.66 -61.95 2.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.5 mp -35.19 -49.42 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -75.36 -40.61 57.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.404 ' O ' HD23 ' A' ' 73' ' ' LEU . 18.3 ttt -59.44 -27.3 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -73.36 -45.67 53.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -72.42 -24.88 61.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -73.68 -36.23 65.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.914 HD22 HD23 ' A' ' 99' ' ' LEU . 4.1 pp -90.34 -40.83 11.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.675 ' N ' HD12 ' A' ' 73' ' ' LEU . 17.8 mt-10 -53.7 -56.76 14.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -46.22 -51.6 14.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.484 HD22 ' OE1' ' A' ' 44' ' ' GLN . 96.5 mt -43.54 -41.77 4.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.873 HD13 HG11 ' A' ' 96' ' ' VAL . 28.3 tp -36.19 -33.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.551 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.6 pp0? -49.59 -48.9 48.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.708 ' OD1' HG13 ' A' ' 37' ' ' VAL . 7.5 m-20 -42.71 -37.33 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.889 ' HB1' HG22 ' A' ' 89' ' ' VAL . . . -80.31 -56.38 4.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.746 ' CD2' HG11 ' A' ' 89' ' ' VAL . 8.4 m170 -65.46 -7.75 15.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 78' ' ' GLN . 28.5 mm-40 -82.26 -63.19 1.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.777 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -101.81 -76.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' ARG . 2.6 m -37.55 156.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 86' ' ' SER . 1.8 m-20 -98.67 158.91 15.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 85' ' ' ASP . 48.0 p -36.51 -35.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -60.39 -55.52 32.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -71.07 -36.02 72.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.889 HG22 ' HB1' ' A' ' 80' ' ' ALA . 91.6 t -66.9 -38.23 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.9 t -43.71 -45.07 6.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.635 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 27.2 t80 -59.37 -54.3 48.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 95' ' ' LEU . 7.3 mm -59.88 -55.95 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.777 HG23 HG12 ' A' ' 89' ' ' VAL . 15.4 t -35.89 -53.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -47.53 -42.24 22.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.652 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.6 mp -67.96 -69.07 0.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.873 HG11 HD13 ' A' ' 77' ' ' LEU . 2.7 p -39.13 -41.11 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -75.83 -59.29 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -43.39 -51.64 6.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.914 HD23 HD22 ' A' ' 73' ' ' LEU . 40.9 tp -47.08 -41.14 16.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.79 HD21 HD11 ' A' ' 73' ' ' LEU . 19.7 mt -71.66 -26.41 62.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 16.7 mt -77.46 -22.62 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.647 HG21 ' HG ' ' A' ' 18' ' ' LEU . 9.8 mt -88.57 -58.61 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.118 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.613 HG23 ' O ' ' A' ' 99' ' ' LEU . 5.2 pt -56.05 -32.55 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 105' ' ' ARG . 54.2 p -40.76 114.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.538 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 4.7 ttt180 -37.74 -58.18 1.4 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 110.839 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.8 Cg_endo -69.74 84.65 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.68 2.253 . . . . 0.0 112.376 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -140.18 107.34 5.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -160.91 170.99 19.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.4 p -140.34 155.95 46.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 145.6 -94.93 0.17 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -49.81 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.692 2.261 . . . . 0.0 112.356 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.8 p -174.57 163.61 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.4 t -112.68 113.63 25.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.9 p -148.99 177.64 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.834 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -110.7 91.18 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.29 -173.23 51.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -106.3 136.34 46.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 110.88 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.2 m -157.79 156.69 31.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.8 144.71 30.38 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.529 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 178.21 4.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -129.7 -61.02 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.51 -44.17 6.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.122 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 12' ' ' ALA . 10.6 p -46.09 -52.5 11.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 11' ' ' THR . . . -33.8 -61.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -57.8 -42.85 85.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.52 ' SD ' HD12 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -57.66 -58.67 7.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.494 ' N ' ' SD ' ' A' ' 14' ' ' MET . 25.3 mt-10 -37.72 -61.8 0.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.27 -36.06 1.99 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' GLU . 66.3 mtp180 -65.95 -69.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 0.0 110.822 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.782 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.5 mt -36.04 -38.77 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.497 ' OE1' HD13 ' A' ' 53' ' ' LEU . 12.8 mm-40 -59.71 -47.57 85.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' ARG . 15.9 tt0 -73.82 -27.95 61.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -56.1 -39.86 72.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.593 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.0 OUTLIER -81.03 -43.57 19.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 51.2 m -53.73 -24.4 14.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.05 -31.6 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.777 ' HB3' HD21 ' A' ' 95' ' ' LEU . 20.3 m-85 -117.41 75.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.965 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.459 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . . . -115.16 128.93 25.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 111.103 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.766 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.9 Cg_endo -69.76 121.15 7.84 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.625 2.216 . . . . 0.0 112.362 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 29' ' ' ALA . . . 79.65 -39.01 2.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.459 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . . . -32.69 -67.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.345 . . . . 0.0 111.087 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.665 HH11 HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -127.7 -24.02 3.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.665 HD22 HH11 ' A' ' 30' ' ' ARG . 1.4 pt? -132.91 174.42 10.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -171.27 168.5 6.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.801 HD13 ' CD1' ' A' ' 38' ' ' LEU . 8.3 mt -131.19 117.66 19.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.2 28.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -84.55 -29.89 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.86 -115.24 5.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.689 HG13 ' OD1' ' A' ' 79' ' ' ASP . 9.3 t -40.5 -49.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 111.113 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.801 ' CD1' HD13 ' A' ' 33' ' ' LEU . 1.8 tm? -43.42 -56.71 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.459 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -56.61 -39.58 85.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 39' ' ' GLY . 11.6 t80 -36.8 -31.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.913 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.589 HD11 ' N ' ' A' ' 80' ' ' ALA . 14.5 mt -73.36 -58.28 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.51 ' HB2' HD12 ' A' ' 92' ' ' ILE . 9.2 t-160 -48.28 -50.75 28.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -58.92 -48.85 80.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.461 ' OE1' HD22 ' A' ' 76' ' ' LEU . 58.3 mt-30 -57.66 -62.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.623 HG23 HD22 ' A' ' 99' ' ' LEU . 84.1 mt -47.89 -59.25 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.766 HG21 ' HD3' ' A' ' 27' ' ' PRO . 13.6 t -39.68 -42.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.75 -47.27 72.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . 11.5 mt -56.69 -59.53 4.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.593 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -37.35 -50.65 1.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -47.02 -52.51 14.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -49.05 -54.05 17.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.52 ' SG ' HG22 ' A' ' 103' ' ' ILE . 5.0 t -42.47 -59.31 1.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.782 HD21 ' HB2' ' A' ' 18' ' ' LEU . 49.6 mt -45.27 -59.54 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.79 -33.19 15.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.761 ' CB ' HG13 ' A' ' 61' ' ' VAL . 24.4 mmtm -72.83 -64.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 87.4 p -42.25 -37.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.52 -39.77 75.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -106.11 1.55 26.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.429 ' C ' HD23 ' A' ' 60' ' ' LEU . 14.9 m120 71.04 51.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' ' 59' ' ' ASN . 5.1 mt -107.2 6.23 28.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.77 HG12 ' CD2' ' A' ' 65' ' ' TYR . 3.3 m -105.15 115.54 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' SER . 71.0 p -122.26 169.15 11.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.17 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 62' ' ' THR . 2.6 t -34.79 -58.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -51.61 -59.28 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.77 ' CD2' HG12 ' A' ' 61' ' ' VAL . 48.9 t80 -38.48 -44.86 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.581 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.9 m-85 -71.24 -62.88 1.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 mp -38.5 -52.17 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -66.47 -39.62 88.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.7 ttt -61.47 -36.29 80.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.407 ' HA ' HD21 ' A' ' 100' ' ' LEU . 13.9 mt-30 -66.03 -42.03 90.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.65 -36.1 73.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -63.25 -42.74 99.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.863 HD22 HD23 ' A' ' 99' ' ' LEU . 4.1 pp -81.63 -43.99 17.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.746 ' N ' HD12 ' A' ' 73' ' ' LEU . 13.5 mt-10 -48.97 -62.24 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -42.08 -56.37 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.461 HD22 ' OE1' ' A' ' 44' ' ' GLN . 93.5 mt -42.03 -41.71 2.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.862 HD13 HG11 ' A' ' 96' ' ' VAL . 30.6 tp -36.09 -38.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.954 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.542 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 5.2 pp0? -45.84 -48.35 15.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.689 ' OD1' HG13 ' A' ' 37' ' ' VAL . 5.7 m-20 -41.06 -39.57 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.589 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -80.67 -57.09 3.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.547 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 9.4 m170 -58.35 -11.17 2.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -83.0 -66.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.476 ' NH2' HG21 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -99.62 -56.13 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.508 ' HB3' HG22 ' A' ' 89' ' ' VAL . 16.6 t -44.94 146.37 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.823 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 87' ' ' GLU . 1.4 m-20 -102.09 154.43 18.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 85' ' ' ASP . 85.6 p -33.73 -34.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.9 pm0 -63.51 -50.79 68.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' ASP . 47.7 mt-10 -79.57 -46.35 17.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.809 HG12 HG23 ' A' ' 93' ' ' VAL . 22.0 t -49.9 -30.89 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.3 t -56.36 -38.71 71.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.612 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 23.9 t80 -62.79 -60.25 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.51 HD12 ' HB2' ' A' ' 42' ' ' HIS . 19.4 mm -59.14 -55.13 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.809 HG23 HG12 ' A' ' 89' ' ' VAL . 16.0 t -35.91 -49.94 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -52.26 -47.89 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.777 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.6 mp -62.83 -71.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.862 HG11 HD13 ' A' ' 77' ' ' LEU . 6.3 p -36.11 -36.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' A' ' 98' ' ' LYS . 8.3 ttt180 -77.48 -64.29 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 101' ' ' ILE . 25.4 mttp -41.23 -52.04 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.863 HD23 HD22 ' A' ' 73' ' ' LEU . 29.3 tp -43.57 -43.72 5.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.794 HD21 HD11 ' A' ' 73' ' ' LEU . 15.2 mt -72.64 -25.45 61.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' LYS . 11.3 mt -81.86 -19.33 10.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.507 HG21 ' HG ' ' A' ' 18' ' ' LEU . 17.2 mt -91.15 -63.12 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.581 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 32.4 pt -47.66 -35.15 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 103' ' ' ILE . 2.9 m -45.31 113.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.555 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 4.7 ttt180 -46.6 -56.84 10.15 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.622 0.725 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.9 Cg_endo -69.76 88.23 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.745 2.297 . . . . 0.0 112.297 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -141.12 115.09 9.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -119.36 -15.1 9.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.6 m -134.77 -53.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 138.08 -100.9 0.31 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 1.87 4.01 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.342 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.7 t 74.59 50.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.5 t -89.79 -33.69 16.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.49 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 m 59.1 43.24 17.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 0.0 110.838 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 m -126.86 95.77 4.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.84 41.51 0.27 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t -64.78 91.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.889 0.376 . . . . 0.0 110.889 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -109.01 -45.94 3.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.9 72.33 1.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.526 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 178.06 4.95 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.656 2.237 . . . . 0.0 112.375 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -131.01 -57.97 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.19 -46.07 4.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.124 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 12' ' ' ALA . 2.7 p -46.17 -45.49 16.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 11' ' ' THR . . . -34.74 -58.57 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -61.31 -41.25 96.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.7 ttt -57.22 -54.87 41.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.522 ' O ' HD21 ' A' ' 53' ' ' LEU . 17.4 mt-10 -47.66 -57.17 5.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.44 -35.22 3.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.546 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 20' ' ' GLU . 55.7 mtp85 -68.34 -64.05 0.94 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.868 0.366 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' ARG . 5.5 mt -36.85 -40.32 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.74 ' OE1' HD13 ' A' ' 53' ' ' LEU . 13.0 mm-40 -61.07 -46.32 91.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 17' ' ' ARG . 15.1 tt0 -70.43 -29.37 65.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.446 ' CZ ' HD23 ' A' ' 95' ' ' LEU . 11.7 t80 -56.74 -44.01 81.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.83 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.0 OUTLIER -77.02 -43.09 35.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.9 m -53.48 -24.43 13.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.61 -31.19 11.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.775 ' HB3' HD21 ' A' ' 95' ' ' LEU . 19.7 m-85 -116.8 77.93 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.416 ' HB3' ' CB ' ' A' ' 29' ' ' ALA . . . -121.4 126.95 26.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.463 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.2 Cg_endo -69.72 107.9 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.385 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.04 -28.66 13.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.416 ' CB ' ' HB3' ' A' ' 26' ' ' ALA . . . -49.5 -71.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.504 HH11 HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -127.75 -6.43 5.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.817 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.555 HD11 ' CE2' ' A' ' 91' ' ' PHE . 1.3 pt? -143.71 177.69 8.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.94 126.77 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.972 HD13 HD11 ' A' ' 38' ' ' LEU . 56.0 mt -93.16 86.34 5.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.94 -44.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' ALA . 20.8 t0 -36.98 131.68 0.73 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.67 -93.73 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.717 HG13 ' OD1' ' A' ' 79' ' ' ASP . 5.0 t -38.45 -65.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.972 HD11 HD13 ' A' ' 33' ' ' LEU . 1.8 tm? -35.93 -57.92 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.588 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -53.41 -37.36 55.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.53 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 37' ' ' VAL . 7.9 t80 -43.28 -31.16 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.641 HD11 ' N ' ' A' ' 80' ' ' ALA . 13.1 mt -71.49 -57.47 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -48.48 -49.9 33.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -61.82 -46.38 89.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -59.02 -65.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.722 HG23 HD22 ' A' ' 99' ' ' LEU . 97.2 mt -47.01 -63.6 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.463 HG21 ' HD3' ' A' ' 27' ' ' PRO . 14.3 t -40.79 -42.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -68.96 -34.06 74.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.7 mt -67.31 -58.66 4.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.83 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -36.15 -49.34 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -46.22 -51.15 14.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.24 -52.89 24.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.5 t -41.58 -63.57 0.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.74 HD13 ' OE1' ' A' ' 19' ' ' GLN . 28.5 mt -46.41 -58.34 3.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.39 -26.37 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.65 ' CB ' HG13 ' A' ' 61' ' ' VAL . 46.2 mmtt -84.16 -62.97 1.43 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.7 t -46.35 -37.75 7.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.27 -36.01 73.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -108.48 5.45 25.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.403 ' C ' HD23 ' A' ' 60' ' ' LEU . 6.6 t30 66.87 48.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 60' ' ' LEU . 6.3 mt -101.58 -8.29 22.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.67 HG12 ' CE2' ' A' ' 65' ' ' TYR . 27.9 m -86.36 128.89 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.9 p -131.18 168.76 16.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.157 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 m -39.58 -52.23 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 65' ' ' TYR . 8.0 tpt180 -58.89 -57.06 14.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.67 ' CE2' HG12 ' A' ' 61' ' ' VAL . 67.4 t80 -34.88 -58.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -59.88 -61.9 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mt -39.24 -54.25 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.14 -40.06 86.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.401 ' O ' HD23 ' A' ' 73' ' ' LEU . 18.1 ttt -59.81 -33.27 71.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.452 ' CD ' HD22 ' A' ' 100' ' ' LEU . 20.6 mt-30 -71.3 -43.56 66.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -71.59 -29.02 64.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -71.33 -38.49 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.879 HD22 HD23 ' A' ' 99' ' ' LEU . 3.9 pp -85.3 -46.95 10.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.787 ' N ' HD12 ' A' ' 73' ' ' LEU . 16.6 mt-10 -46.93 -57.65 4.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -44.39 -53.83 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 73' ' ' LEU . 45.6 mt -41.64 -40.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.892 HD13 HG11 ' A' ' 96' ' ' VAL . 31.7 tp -35.78 -39.23 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.507 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.7 pp0? -44.97 -52.15 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.717 ' OD1' HG13 ' A' ' 37' ' ' VAL . 7.6 m-20 -39.08 -39.88 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.641 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -78.74 -57.87 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.52 ' CE1' HD21 ' A' ' 77' ' ' LEU . 8.4 m170 -62.02 -8.29 5.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' GLN . 28.2 mm-40 -83.09 -56.55 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.576 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -113.24 -55.47 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.72 ' HB3' HG22 ' A' ' 89' ' ' VAL . 10.6 t -41.21 145.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.616 ' O ' HG23 ' A' ' 89' ' ' VAL . 40.6 m-20 -95.03 155.7 16.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.0 p -37.88 -27.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 85' ' ' ASP . 8.4 pt-20 -69.03 -55.87 9.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.415 ' CB ' ' OG ' ' A' ' 84' ' ' SER . 7.3 mp0 -74.91 -44.6 47.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.72 HG22 ' HB3' ' A' ' 84' ' ' SER . 12.2 t -51.42 -41.07 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.8 t -49.99 -49.28 51.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.555 ' CE2' HD11 ' A' ' 31' ' ' LEU . 37.6 t80 -52.72 -61.66 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.537 HD11 ' CD1' ' A' ' 33' ' ' LEU . 13.5 mm -54.99 -55.39 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.497 HG23 HG12 ' A' ' 89' ' ' VAL . 9.6 t -37.09 -43.78 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -56.48 -47.63 78.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.775 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.4 mp -63.99 -70.69 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.892 HG11 HD13 ' A' ' 77' ' ' LEU . 7.4 p -36.35 -34.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.0 ttm-85 -79.75 -59.64 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 101' ' ' ILE . 26.0 mttp -47.54 -51.49 20.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.879 HD23 HD22 ' A' ' 73' ' ' LEU . 28.4 tp -42.9 -40.39 2.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.827 HD21 HD11 ' A' ' 73' ' ' LEU . 26.2 mt -73.22 -30.61 63.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' LYS . 9.7 mt -77.47 -25.07 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.7 mt -85.62 -62.67 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.69 HG23 ' O ' ' A' ' 99' ' ' LEU . 11.6 pt -48.25 -30.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.8 m -52.34 112.83 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.516 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 7.1 ttt85 -43.05 -58.67 3.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.592 0.71 . . . . 0.0 110.82 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.9 Cg_endo -69.77 105.92 1.57 Allowed 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.732 2.288 . . . . 0.0 112.375 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -140.95 137.3 32.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.6 ttm-85 -161.08 134.32 6.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 m -131.17 118.0 19.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.06 124.4 1.75 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 112' ' ' SER . 53.9 Cg_endo -69.77 97.19 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 111' ' ' PRO . 83.4 p -36.0 150.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.4 m -71.67 83.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.45 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p 42.3 42.24 2.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.829 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t -44.11 120.16 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.81 -167.27 17.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.49 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 6' ' ' SER . 17.4 m -61.51 132.21 52.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 5' ' ' SER . 89.7 p -36.13 -54.32 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.6 83.7 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.407 ' HG2' ' CB ' ' A' ' 12' ' ' ALA . 53.5 Cg_endo -69.76 179.99 3.31 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.337 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -117.51 -24.99 7.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.937 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -51.34 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 14' ' ' MET . 0.8 OUTLIER -36.17 -30.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.185 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -34.18 -50.34 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.149 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -52.23 -46.05 65.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.4 OUTLIER -59.85 -50.47 73.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.467 ' O ' HD21 ' A' ' 53' ' ' LEU . 20.2 mt-10 -43.95 -50.63 8.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.37 -37.51 25.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.438 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.443 ' HB2' HG23 ' A' ' 102' ' ' ILE . 56.9 mtp180 -64.46 -56.68 12.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.51 ' HG ' HG21 ' A' ' 102' ' ' ILE . 3.5 mt -45.43 -30.57 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -65.71 -51.08 62.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -68.39 -30.49 69.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.428 ' CZ ' HD23 ' A' ' 95' ' ' LEU . 10.8 t80 -52.21 -47.22 65.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.492 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.9 mt -74.48 -45.68 44.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.44 ' O ' ' NH1' ' A' ' 30' ' ' ARG . 20.9 m -51.92 -24.12 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.48 -21.61 15.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.679 ' HB3' HD21 ' A' ' 95' ' ' LEU . 20.8 m-85 -130.01 76.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -119.61 129.12 25.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.681 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.0 Cg_endo -69.75 112.14 3.0 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.694 2.263 . . . . 0.0 112.336 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 29' ' ' ALA . . . 102.06 -58.95 0.6 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 28' ' ' GLY . . . -33.93 -67.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.778 0.323 . . . . 0.0 111.113 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.44 ' NH1' ' O ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -104.08 -64.58 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.825 HD11 ' CE2' ' A' ' 91' ' ' PHE . 1.5 pt? -117.54 158.09 25.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.3 128.51 17.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.043 HD13 HD11 ' A' ' 38' ' ' LEU . 44.6 mt -92.66 106.64 18.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.68 22.82 3.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.448 ' OD2' ' CB ' ' A' ' 38' ' ' LEU . 27.3 t0 -79.81 12.22 2.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.819 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' VAL . . . 65.17 -118.27 11.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.478 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.639 HG13 ' OD1' ' A' ' 79' ' ' ASP . 3.3 t -36.88 -64.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 0.0 111.104 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.043 HD11 HD13 ' A' ' 33' ' ' LEU . 1.4 tm? -38.81 -45.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.6 -34.22 88.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 37' ' ' VAL . 17.6 t80 -47.39 -22.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.862 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.626 HD11 ' CB ' ' A' ' 79' ' ' ASP . 6.8 mt -77.59 -50.41 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -52.84 -52.81 55.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -58.94 -46.68 87.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.572 ' OE1' HD22 ' A' ' 76' ' ' LEU . 57.3 mt-30 -58.97 -62.12 2.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.562 HG23 HD22 ' A' ' 99' ' ' LEU . 80.7 mt -50.75 -64.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.681 HG21 ' HD3' ' A' ' 27' ' ' PRO . 29.3 t -40.49 -37.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -73.07 -40.33 65.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.2 mt -63.09 -55.69 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.492 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -41.84 -47.67 4.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.5 mtp85 -48.38 -51.93 24.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -47.49 -52.82 16.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.1 t -42.67 -60.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.467 HD21 ' O ' ' A' ' 15' ' ' GLU . 19.8 mt -44.95 -58.16 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.54 -28.92 22.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.73 ' CB ' HG13 ' A' ' 61' ' ' VAL . 47.6 mmtt -79.7 -69.38 0.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 m -40.78 -39.46 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.74 -40.97 73.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.514 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.403 ' HB2' HD21 ' A' ' 60' ' ' LEU . 11.5 mm-40 -105.47 10.88 33.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.932 0.396 . . . . 0.0 110.903 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.6 m120 63.07 42.93 6.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.455 ' N ' HD23 ' A' ' 60' ' ' LEU . 5.2 mt -91.63 -24.07 19.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.73 HG13 ' CB ' ' A' ' 55' ' ' LYS . 31.2 m -70.42 133.68 31.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.9 p -132.54 167.33 20.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 m -41.05 -54.48 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 65' ' ' TYR . 3.7 tpp85 -57.75 -54.22 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.531 ' CE2' HG12 ' A' ' 61' ' ' VAL . 72.4 t80 -36.13 -58.06 0.68 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.2 m-85 -57.27 -63.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.6 mp -36.08 -59.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.418 ' CD ' ' OE2' ' A' ' 71' ' ' GLU . 16.5 mm-40 -60.95 -42.04 97.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.2 ttt -59.77 -32.91 71.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -68.6 -52.45 31.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.418 ' OE2' ' CD ' ' A' ' 68' ' ' GLU . 8.9 pt-20 -66.03 -29.59 69.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -68.25 -47.12 68.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.036 HD11 HD21 ' A' ' 100' ' ' LEU . 3.5 pp -76.63 -47.49 22.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.951 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.751 ' N ' HD12 ' A' ' 73' ' ' LEU . 14.3 mt-10 -50.02 -56.22 11.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.9 tpp85 -44.49 -49.8 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.572 HD22 ' OE1' ' A' ' 44' ' ' GLN . 84.1 mt -46.39 -42.03 14.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.896 HD13 HG11 ' A' ' 96' ' ' VAL . 21.9 tp -37.82 -30.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.556 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.8 pp0? -51.88 -47.98 64.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.639 ' OD1' HG13 ' A' ' 37' ' ' VAL . 7.0 m-20 -45.79 -35.45 4.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.553 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -82.0 -58.06 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.524 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 11.5 m170 -58.93 -10.33 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -83.45 -69.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -98.88 -60.68 1.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.563 ' CB ' HD23 ' A' ' 38' ' ' LEU . 30.5 t -38.13 156.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 87' ' ' GLU . 5.4 m-20 -110.52 155.43 22.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 85' ' ' ASP . 11.3 p -34.22 -33.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 85' ' ' ASP . 15.9 pt-20 -63.88 -52.99 57.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' A' ' 87' ' ' GLU . 3.7 mp0 -77.37 -44.22 30.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.735 HG12 HG23 ' A' ' 93' ' ' VAL . 18.5 t -56.56 -26.8 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.2 t -59.4 -43.64 92.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.825 ' CE2' HD11 ' A' ' 31' ' ' LEU . 22.0 t80 -61.64 -62.35 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.405 HD11 ' CD1' ' A' ' 33' ' ' LEU . 13.2 mm -54.33 -52.7 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.735 HG23 HG12 ' A' ' 89' ' ' VAL . 8.4 t -38.15 -52.04 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.073 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -49.57 -45.84 48.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.679 HD21 ' HB3' ' A' ' 25' ' ' TYR . 5.0 mp -63.68 -71.13 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.896 HG11 HD13 ' A' ' 77' ' ' LEU . 7.7 p -36.56 -35.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -78.96 -66.56 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 101' ' ' ILE . 10.6 mttm -42.46 -47.37 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.826 HD23 HD22 ' A' ' 73' ' ' LEU . 12.8 tp -45.7 -43.43 12.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.036 HD21 HD11 ' A' ' 73' ' ' LEU . 5.6 mt -74.38 -22.47 59.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 98' ' ' LYS . 5.3 mt -85.43 -19.81 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.51 HG21 ' HG ' ' A' ' 18' ' ' LEU . 14.3 mt -90.49 -57.06 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 27.8 pt -56.65 -29.06 28.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.0 m -60.39 112.04 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.648 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 3.9 ttm180 -42.78 -52.1 11.51 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.594 0.712 . . . . 0.0 110.834 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.5 Cg_endo -69.77 129.24 17.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.291 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -150.14 167.92 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -162.99 153.15 16.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.5 t -115.98 163.75 15.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -145.41 -157.59 7.32 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.469 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 128.16 15.61 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.394 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 113' ' ' SER . 14.5 m -83.1 -45.72 13.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 112' ' ' SER . 34.2 t -34.66 -47.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -53.93 112.08 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.93 0.395 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -69.38 82.54 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.6 -113.28 4.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -127.7 114.16 16.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -99.04 149.7 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.42 125.11 6.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 95.12 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.2 tptp -95.42 -44.75 7.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.88 -36.78 15.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' MET . 19.0 p -69.23 -60.1 2.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 11' ' ' THR . . . -32.89 -53.01 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -67.34 -40.99 85.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 11' ' ' THR . 3.6 ttt -59.64 -56.48 21.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.582 ' O ' HD21 ' A' ' 53' ' ' LEU . 33.4 mt-10 -43.58 -45.47 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.839 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.3 -39.04 81.29 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -62.12 -56.9 14.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.351 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.435 ' HG ' ' CG2' ' A' ' 102' ' ' ILE . 5.9 mt -41.76 -37.26 1.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -60.55 -55.3 35.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -62.3 -33.09 73.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -52.47 -44.33 65.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.693 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.0 OUTLIER -78.45 -45.73 21.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.2 m -53.74 -25.86 20.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.8 -35.46 12.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.69 ' HB3' HD21 ' A' ' 95' ' ' LEU . 20.1 m-85 -117.21 80.15 1.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.618 ' HB3' ' CB ' ' A' ' 29' ' ' ALA . . . -118.25 125.17 28.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.536 0.684 . . . . 0.0 111.079 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.589 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.1 Cg_endo -69.73 91.26 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 118.78 -25.56 7.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.618 ' CB ' ' HB3' ' A' ' 26' ' ' ALA . . . -54.02 -64.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.484 ' HD2' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -127.13 -16.28 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.685 HD11 ' CE2' ' A' ' 91' ' ' PHE . 1.2 pt? -138.62 -179.88 6.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.02 124.0 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.885 HD13 HD11 ' A' ' 38' ' ' LEU . 64.4 mt -91.56 83.75 5.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.69 -42.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.095 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.433 ' CG ' ' HB3' ' A' ' 38' ' ' LEU . 24.6 t0 -37.87 127.69 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' VAL . . . -64.69 -95.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.462 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.769 HG13 ' OD1' ' A' ' 79' ' ' ASP . 12.8 t -36.96 -65.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 111.115 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.885 HD11 HD13 ' A' ' 33' ' ' LEU . 1.9 tm? -35.84 -60.53 0.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.577 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -53.88 -37.79 58.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' VAL . 11.0 t80 -38.26 -32.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.521 HG22 ' CD1' ' A' ' 45' ' ' ILE . 13.3 mt -71.54 -60.01 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.499 ' HB2' HD12 ' A' ' 92' ' ' ILE . 20.8 t-160 -48.18 -48.22 34.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -61.49 -44.14 97.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -64.14 -71.93 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.76 HG23 HD22 ' A' ' 99' ' ' LEU . 86.6 mt -38.8 -60.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.589 HG21 ' HD3' ' A' ' 27' ' ' PRO . 42.7 t -43.02 -41.14 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -71.47 -34.8 70.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 48' ' ' LEU . 13.4 mt -65.23 -57.9 7.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.693 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -37.45 -47.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -46.99 -52.01 15.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -53.04 -44.19 67.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.409 ' SG ' HG22 ' A' ' 103' ' ' ILE . 2.6 t -50.85 -54.13 26.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.582 HD21 ' O ' ' A' ' 15' ' ' GLU . 24.5 mt -50.78 -57.92 7.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.17 -32.31 35.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.691 ' CB ' HG13 ' A' ' 61' ' ' VAL . 39.8 mmtt -71.2 -65.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.8 t -50.21 -34.94 24.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.34 -35.76 91.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -109.09 11.39 25.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.392 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.1 m120 64.08 46.26 3.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mt -99.98 -24.46 14.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.691 HG13 ' CB ' ' A' ' 55' ' ' LYS . 23.9 m -65.96 118.68 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.6 p -122.08 159.98 25.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.9 m -37.6 -49.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -61.03 -49.79 75.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.455 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 61.6 t80 -39.68 -58.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.577 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.5 m-85 -60.49 -61.77 2.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' PHE . 3.6 mt -36.92 -58.94 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -63.42 -41.26 98.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.3 ttt -56.37 -37.81 70.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -63.64 -47.2 82.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.25 -33.2 72.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -65.3 -44.1 88.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.96 HD11 HD21 ' A' ' 100' ' ' LEU . 3.6 pp -80.4 -48.5 12.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.746 ' N ' HD12 ' A' ' 73' ' ' LEU . 18.4 mt-10 -44.77 -63.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.7 tpt85 -40.14 -56.52 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 77' ' ' LEU . 78.5 mt -39.97 -40.41 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.79 HD13 HG11 ' A' ' 96' ' ' VAL . 26.7 tp -35.61 -40.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -45.34 -49.67 12.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.769 ' OD1' HG13 ' A' ' 37' ' ' VAL . 7.1 m-20 -39.63 -35.9 0.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.552 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -84.47 -58.31 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.409 ' CE1' ' HG ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -61.5 -7.93 3.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 78' ' ' GLN . 18.1 mm-40 -80.44 -60.29 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.505 ' N ' ' HD2' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -114.23 -52.03 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.531 ' HB3' HG22 ' A' ' 89' ' ' VAL . 14.5 t -42.66 150.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 87' ' ' GLU . 21.5 m-20 -101.75 150.98 22.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 85' ' ' ASP . 13.6 t -37.92 -26.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 85' ' ' ASP . 9.6 pt-20 -67.79 -46.6 71.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 85' ' ' ASP . 24.5 mt-10 -86.79 -33.61 19.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.675 HG12 HG23 ' A' ' 93' ' ' VAL . 16.5 t -64.51 -34.83 72.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.6 t -51.54 -44.97 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.685 ' CE2' HD11 ' A' ' 31' ' ' LEU . 32.8 t80 -61.6 -64.67 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.791 HD11 ' CD1' ' A' ' 33' ' ' LEU . 26.0 mm -49.77 -49.59 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.675 HG23 HG12 ' A' ' 89' ' ' VAL . 25.4 t -41.87 -46.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -53.36 -44.1 68.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.69 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.9 mp -64.25 -70.83 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.79 HG11 HD13 ' A' ' 77' ' ' LEU . 5.9 p -38.82 -37.14 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.4 ttm-85 -75.59 -64.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 101' ' ' ILE . 9.4 mttm -43.14 -51.87 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.855 HD23 HD22 ' A' ' 73' ' ' LEU . 23.2 tp -40.93 -49.69 3.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.96 HD21 HD11 ' A' ' 73' ' ' LEU . 22.9 mt -63.98 -29.71 70.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 98' ' ' LYS . 10.0 mt -78.92 -29.47 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.435 ' CG2' ' HG ' ' A' ' 18' ' ' LEU . 20.6 mt -79.93 -62.91 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.577 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 31.9 pt -47.99 -27.04 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.4 m -65.26 115.74 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.521 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 6.7 ttt180 -44.74 -58.52 5.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.552 0.692 . . . . 0.0 110.844 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.7 Cg_endo -69.77 127.51 14.69 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.665 2.243 . . . . 0.0 112.347 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -145.29 116.59 7.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 109' ' ' SER . 12.6 ttp85 -60.59 139.46 57.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 108' ' ' ARG . 28.4 t -34.89 -58.92 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.417 ' HA2' ' HD2' ' A' ' 111' ' ' PRO . . . 102.38 96.91 2.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.417 ' HD2' ' HA2' ' A' ' 110' ' ' GLY . 53.9 Cg_endo -69.74 -4.89 14.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.7 t -125.87 138.66 53.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.1 m -61.71 158.07 16.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -152.17 149.63 28.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.907 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -53.04 -57.24 11.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.3 -159.36 25.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.52 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 p -117.26 141.97 47.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.82 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -49.43 146.09 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.25 143.66 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 129.79 18.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -120.26 -60.5 1.68 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.19 -51.54 17.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.087 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -96.99 40.6 1.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.0 -61.51 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.145 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -45.23 -47.6 12.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.8 ttp -50.02 -52.22 35.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' ARG . 13.7 mm-40 -46.89 -64.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' GLU . . . -36.29 -33.32 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 15' ' ' GLU . 59.6 mtp180 -71.71 -66.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 0.0 110.86 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.649 ' HB2' HD21 ' A' ' 53' ' ' LEU . 4.5 mt -37.29 -34.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -64.22 -57.21 10.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.42 -31.11 71.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.416 ' CZ ' HD23 ' A' ' 95' ' ' LEU . 14.7 t80 -55.31 -45.22 76.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.643 HD13 ' HD3' ' A' ' 50' ' ' ARG . 1.3 mt -76.97 -44.83 29.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.7 m -52.82 -24.65 9.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.22 -27.86 12.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.782 ' HB3' HD21 ' A' ' 95' ' ' LEU . 18.4 m-30 -120.11 78.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.491 ' O ' HD23 ' A' ' 31' ' ' LEU . . . -123.47 120.04 27.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.587 0.708 . . . . 0.0 111.099 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 130.37 19.23 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.248 . . . . 0.0 112.369 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.07 -39.03 2.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -43.55 -65.16 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.719 0.295 . . . . 0.0 111.083 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.526 HH11 HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -128.94 -27.91 2.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.55 HD11 ' CZ ' ' A' ' 91' ' ' PHE . 1.2 pt? -124.0 -178.15 3.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -173.79 -178.59 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.766 HD13 ' CD1' ' A' ' 38' ' ' LEU . 10.0 mt -147.68 117.44 7.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' ASP . . . -88.36 -14.09 39.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' ALA . 3.2 t70 -34.93 -40.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 128.93 -136.39 9.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.558 HG12 ' HG3' ' A' ' 83' ' ' ARG . 0.5 OUTLIER -43.73 -33.72 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 111.133 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.809 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.6 tm? -39.82 -52.76 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.505 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -53.17 -33.81 46.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 37' ' ' VAL . 4.3 t80 -45.49 -32.08 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 110.882 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.7 HD11 ' HB2' ' A' ' 79' ' ' ASP . 14.0 mt -74.32 -60.24 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.419 ' HB2' HD12 ' A' ' 92' ' ' ILE . 10.4 t-160 -46.56 -44.63 18.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -66.03 -45.87 79.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -60.3 -56.67 18.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.695 HG23 HD22 ' A' ' 99' ' ' LEU . 84.2 mt -54.57 -62.67 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -45.31 -31.09 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -78.58 -36.3 44.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.2 mt -68.99 -47.75 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.417 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -45.67 -49.2 14.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.086 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.643 ' HD3' HD13 ' A' ' 22' ' ' LEU . 18.2 mmm180 -47.59 -53.12 15.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 37.9 t0 -49.67 -45.61 48.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.2 t -47.03 -55.37 8.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.649 HD21 ' HB2' ' A' ' 18' ' ' LEU . 11.3 mt -51.39 -60.74 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.78 -29.61 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.05 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.696 ' CB ' HG13 ' A' ' 61' ' ' VAL . 34.3 mmtt -76.66 -66.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.2 m -45.8 -39.66 8.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.91 -38.89 76.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -104.7 3.47 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 68.9 48.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.447 ' N ' HD23 ' A' ' 60' ' ' LEU . 5.8 mt -100.03 -22.01 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.696 HG13 ' CB ' ' A' ' 55' ' ' LYS . 29.5 m -69.2 122.34 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 63' ' ' SER . 63.2 p -122.55 158.15 30.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.501 ' O ' HD23 ' A' ' 67' ' ' LEU . 33.7 p -34.55 -54.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.827 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 65' ' ' TYR . 0.7 OUTLIER -59.55 -52.25 66.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.655 ' CE2' HG12 ' A' ' 61' ' ' VAL . 64.4 t80 -35.38 -57.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.508 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.1 m-85 -58.93 -63.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 63' ' ' SER . 4.2 mm? -34.02 -57.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -61.59 -39.78 92.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.469 ' N ' ' O ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -60.02 -44.04 94.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.416 ' HB3' HD22 ' A' ' 100' ' ' LEU . 21.8 mt-30 -66.57 -49.75 65.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -63.32 -31.06 72.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -69.98 -52.63 22.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.942 HD22 HD23 ' A' ' 99' ' ' LEU . 2.3 pp -68.65 -47.96 65.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.644 ' N ' HD12 ' A' ' 73' ' ' LEU . 17.8 mt-10 -45.73 -55.45 6.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -49.57 -52.33 30.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 73' ' ' LEU . 93.9 mt -42.52 -41.44 2.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.691 HD13 HG11 ' A' ' 96' ' ' VAL . 25.5 tp -35.74 -34.59 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.445 ' CD ' ' N ' ' A' ' 79' ' ' ASP . 4.2 pp0? -47.25 -51.07 19.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.7 ' HB2' HD11 ' A' ' 41' ' ' ILE . 15.4 m-20 -44.45 -40.23 5.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.559 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -76.56 -57.12 4.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.616 ' CE1' HD21 ' A' ' 77' ' ' LEU . 11.9 m170 -61.55 -8.79 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -86.81 -69.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.558 ' HG3' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -94.8 -65.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.657 ' HB3' HG22 ' A' ' 89' ' ' VAL . 8.0 t -34.12 148.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 87' ' ' GLU . 19.6 t70 -98.74 155.03 17.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 85' ' ' ASP . 87.6 p -35.77 -31.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 85' ' ' ASP . 4.8 tp10 -64.88 -63.87 1.01 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -66.51 -45.56 79.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.657 HG22 ' HB3' ' A' ' 84' ' ' SER . 62.7 t -49.29 -46.26 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.3 t -50.09 -33.9 20.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.55 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 29.3 t80 -64.56 -58.65 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.419 HD12 ' HB2' ' A' ' 42' ' ' HIS . 5.4 mm -59.8 -47.11 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.16 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.9 t -43.16 -43.68 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -57.2 -46.8 82.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.782 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.2 mp -65.14 -69.54 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.691 HG11 HD13 ' A' ' 77' ' ' LEU . 7.6 p -36.5 -35.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.624 HH11 HD11 ' A' ' 101' ' ' ILE . 6.6 ttm-85 -79.81 -60.42 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 101' ' ' ILE . 26.1 mttp -45.18 -55.09 6.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.942 HD23 HD22 ' A' ' 73' ' ' LEU . 33.9 tp -40.31 -42.65 1.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.883 HD21 HD11 ' A' ' 73' ' ' LEU . 26.4 mt -71.62 -33.02 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.624 HD11 HH11 ' A' ' 97' ' ' ARG . 9.4 mt -71.52 -24.84 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.0 mt -86.98 -58.34 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.759 HG23 ' O ' ' A' ' 99' ' ' LEU . 8.2 pt -56.26 -31.09 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.3 p -41.81 116.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.553 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 7.5 ttt85 -44.23 -56.71 7.45 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.671 0.748 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 54.1 Cg_endo -69.76 106.75 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.356 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -167.37 120.23 0.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.057 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -144.17 124.45 13.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.4 t -56.62 130.96 47.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -177.72 83.81 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 124.62 11.26 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.72 2.28 . . . . 0.0 112.333 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 m -115.33 114.45 25.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.2 m -39.46 -58.7 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 p -121.01 87.1 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 p -98.47 42.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.42 144.93 1.26 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 t -73.75 89.55 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.372 . . . . 0.0 110.879 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.5 t -104.82 85.4 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.72 -163.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.47 ' HB2' ' CB ' ' A' ' 12' ' ' ALA . 54.5 Cg_endo -69.7 162.02 43.66 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.733 2.288 . . . . 0.0 112.367 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' PRO . 2.5 mmmp? -35.93 135.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -39.49 -45.14 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -103.33 44.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . . . -76.66 -56.98 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.09 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' ALA . 4.3 tp60 -36.61 -63.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -45.11 -60.11 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -41.25 -56.79 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.43 -37.84 4.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.594 ' HB2' HG23 ' A' ' 102' ' ' ILE . 26.6 mtp180 -62.89 -59.44 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.806 0.336 . . . . 0.0 110.919 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.665 ' HG ' HG21 ' A' ' 102' ' ' ILE . 3.2 mt -45.76 -30.82 1.75 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -63.53 -47.71 80.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -70.41 -25.7 63.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.61 ' CZ ' HD23 ' A' ' 95' ' ' LEU . 21.9 t80 -57.6 -40.8 79.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.93 -36.36 36.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.493 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 32.7 m -62.03 -22.26 65.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.35 -28.99 11.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.641 ' HB3' HD21 ' A' ' 95' ' ' LEU . 19.8 m-85 -126.19 102.55 7.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.954 ' HB1' ' HB3' ' A' ' 29' ' ' ALA . . . -135.65 120.71 13.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.709 . . . . 0.0 111.111 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.65 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.7 Cg_endo -69.81 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.267 . . . . 0.0 112.344 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.44 32.41 6.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.954 ' HB3' ' HB1' ' A' ' 26' ' ' ALA . . . -132.42 -31.18 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.493 ' NE ' ' O ' ' A' ' 23' ' ' THR . 58.9 mtt85 -130.33 -75.26 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.533 ' H ' HD23 ' A' ' 31' ' ' LEU . 1.6 pt? -120.48 153.26 36.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.21 133.49 44.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.008 HD13 HD11 ' A' ' 38' ' ' LEU . 65.9 mt -87.96 111.96 22.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.91 26.68 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.455 ' OD2' ' CB ' ' A' ' 38' ' ' LEU . 49.8 t0 -90.75 21.87 3.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' VAL . . . 51.34 -116.53 4.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.755 HG13 ' OD1' ' A' ' 79' ' ' ASP . 9.3 t -36.66 -68.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 111.103 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.008 HD11 HD13 ' A' ' 33' ' ' LEU . 1.2 tm? -35.91 -55.87 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.66 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -55.99 -34.91 62.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' A' ' 37' ' ' VAL . 8.7 t80 -44.3 -34.83 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.621 HD11 ' HB2' ' A' ' 79' ' ' ASP . 10.3 mt -64.95 -60.38 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.623 ' O ' HG23 ' A' ' 46' ' ' VAL . 5.9 t-160 -41.51 -45.5 3.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -67.18 -46.77 72.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -59.52 -68.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.502 HG23 HD22 ' A' ' 99' ' ' LEU . 97.7 mt -45.12 -69.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.65 HG21 ' HD3' ' A' ' 27' ' ' PRO . 89.0 t -36.45 -43.64 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -66.6 -41.2 88.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 45' ' ' ILE . 13.6 mt -63.29 -39.56 94.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.95 -47.59 77.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -50.42 -50.1 52.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -52.59 -46.16 66.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.69 -58.81 5.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.1 mt -40.42 -58.14 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.81 -40.39 66.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.76 ' CB ' HG13 ' A' ' 61' ' ' VAL . 35.3 mmtt -61.47 -66.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.2 t -49.68 -30.33 8.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.09 -31.37 79.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -115.97 18.98 15.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 57.98 48.39 13.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.421 ' O ' HG23 ' A' ' 62' ' ' THR . 6.2 mt -100.56 -30.69 11.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.813 HG12 ' CE2' ' A' ' 65' ' ' TYR . 19.5 m -63.1 112.25 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 60' ' ' LEU . 50.5 p -115.3 159.25 21.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' THR . 12.6 t -35.51 -50.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -61.87 -48.26 81.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.813 ' CE2' HG12 ' A' ' 61' ' ' VAL . 40.1 t80 -41.1 -47.22 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.582 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 23.3 m-85 -71.71 -62.75 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.5 mp -36.0 -45.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -73.39 -44.12 59.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.668 ' HG3' HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -56.6 -52.77 63.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -49.2 -44.76 43.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -73.15 -38.17 66.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -62.16 -36.31 81.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.982 HD22 HD23 ' A' ' 99' ' ' LEU . 4.1 pp -88.11 -44.37 10.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.742 ' N ' HD12 ' A' ' 73' ' ' LEU . 21.6 mt-10 -48.75 -64.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -40.57 -56.73 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 73' ' ' LEU . 89.9 mt -40.15 -39.08 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.822 HD13 HG11 ' A' ' 96' ' ' VAL . 27.8 tp -35.7 -38.73 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.498 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.6 pp0? -46.54 -48.79 19.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.755 ' OD1' HG13 ' A' ' 37' ' ' VAL . 9.5 m-20 -40.76 -33.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.607 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -88.35 -57.55 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.534 ' CE1' HD21 ' A' ' 77' ' ' LEU . 9.7 m170 -61.51 -8.24 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 78' ' ' GLN . 22.2 mm-40 -83.38 -60.32 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.452 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -109.74 -54.22 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.688 ' HB3' HG22 ' A' ' 89' ' ' VAL . 7.6 t -39.85 157.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.657 ' O ' HG23 ' A' ' 89' ' ' VAL . 1.5 m-20 -110.92 158.5 18.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 85' ' ' ASP . 48.9 p -37.04 -28.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 85' ' ' ASP . 8.1 tt0 -69.71 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.82 -44.59 89.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.688 HG22 ' HB3' ' A' ' 84' ' ' SER . 16.0 t -52.85 -39.21 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.8 t -51.93 -44.97 64.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -58.06 -60.06 4.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.525 HD11 ' CD1' ' A' ' 33' ' ' LEU . 14.9 mm -57.59 -57.41 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.652 HG23 HG12 ' A' ' 89' ' ' VAL . 13.0 t -35.56 -47.83 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -54.19 -42.99 70.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.641 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.4 mp -68.96 -70.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.822 HG11 HD13 ' A' ' 77' ' ' LEU . 5.7 p -35.88 -37.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -80.87 -57.92 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -44.78 -51.0 9.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.982 HD23 HD22 ' A' ' 73' ' ' LEU . 37.4 tp -45.14 -46.49 11.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.904 HD21 HD11 ' A' ' 73' ' ' LEU . 16.0 mt -64.85 -28.35 69.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.0 mt -74.72 -26.43 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.665 HG21 ' HG ' ' A' ' 18' ' ' LEU . 10.4 mt -87.12 -63.03 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.582 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 15.0 pt -49.61 -29.41 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 m -68.37 114.05 6.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.632 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 6.9 ttt180 -50.98 -52.13 60.92 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.6 Cg_endo -69.78 -179.9 3.24 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.623 2.215 . . . . 0.0 112.384 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -175.0 149.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.076 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.7 ttm105 -160.76 144.21 13.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 92.0 p -127.16 107.26 9.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -76.45 148.78 36.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -30.99 21.29 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.661 2.241 . . . . 0.0 112.337 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 93.9 p -47.31 113.54 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -165.36 130.16 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 m -73.34 152.59 40.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.906 0.384 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 t -123.69 106.25 10.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.38 -84.4 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t 66.96 37.2 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.838 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -145.87 132.45 19.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.22 -153.31 25.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 159.61 52.79 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.351 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.73 -62.67 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.16 -57.06 8.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.72 -30.05 68.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.17 -38.08 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.048 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -71.89 -46.06 59.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.477 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -53.78 -46.25 70.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.477 ' N ' ' SD ' ' A' ' 14' ' ' MET . 39.2 mt-10 -51.55 -47.15 63.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.95 -26.17 18.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.46 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' HB2' HG23 ' A' ' 102' ' ' ILE . 13.0 mtp85 -76.95 -59.57 2.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.596 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.2 mt -40.0 -28.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 17' ' ' ARG . 21.4 mt-30 -66.67 -49.98 64.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -67.65 -28.86 68.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -57.08 -44.62 83.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.535 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.5 mt -77.7 -41.54 37.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.502 ' O ' ' CZ ' ' A' ' 30' ' ' ARG . 60.1 m -57.64 -22.69 47.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.073 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.91 -25.63 14.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.078 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.58 ' HB3' HD21 ' A' ' 95' ' ' LEU . 20.6 m-85 -126.16 85.01 2.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.921 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -124.62 128.2 25.0 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.562 0.696 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.631 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.9 Cg_endo -69.72 122.04 8.74 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.07 -57.05 3.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -38.9 -36.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.77 0.319 . . . . 0.0 111.069 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.502 ' CZ ' ' O ' ' A' ' 23' ' ' THR . 11.4 mtt-85 -124.64 -70.54 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.765 ' H ' HD23 ' A' ' 31' ' ' LEU . 2.6 pt? -119.94 -175.26 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -169.16 149.46 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.093 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.703 HD13 HD11 ' A' ' 38' ' ' LEU . 9.4 mt -113.69 105.27 13.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.48 -34.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.11 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 33' ' ' LEU . 23.0 t0 -51.3 134.51 27.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -80.94 -70.55 1.33 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.534 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.703 HG11 ' HD3' ' A' ' 83' ' ' ARG . 2.9 t -52.77 -59.21 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.703 HD11 HD13 ' A' ' 33' ' ' LEU . 2.3 tm? -44.37 -49.85 9.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.95 -22.98 67.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.425 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -52.85 -33.4 49.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 0.0 110.869 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.738 HG22 HD12 ' A' ' 45' ' ' ILE . 11.8 mt -69.06 -59.15 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.602 ' O ' HG23 ' A' ' 46' ' ' VAL . 17.9 t-160 -47.32 -49.54 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.814 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -60.67 -42.65 97.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -68.24 -67.8 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.738 HD12 HG22 ' A' ' 41' ' ' ILE . 52.5 mt -42.44 -65.05 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.631 HG21 ' HD3' ' A' ' 27' ' ' PRO . 53.4 t -34.33 -41.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -69.92 -45.2 68.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.7 mt -57.32 -44.16 83.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.535 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -53.69 -50.83 64.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -48.61 -46.64 39.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.84 -52.07 52.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.404 ' SG ' HG22 ' A' ' 103' ' ' ILE . 1.8 t -44.4 -59.25 2.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.596 HD21 ' HB2' ' A' ' 18' ' ' LEU . 40.7 mt -44.61 -59.09 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.48 -34.43 61.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.643 ' HB3' HG13 ' A' ' 61' ' ' VAL . 28.1 mmtm -69.42 -64.28 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.1 m -42.46 -45.23 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -48.41 -43.49 27.31 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -100.52 4.4 43.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 68.83 47.53 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.438 ' HB2' ' CD ' ' A' ' 55' ' ' LYS . 7.0 mt -103.64 12.44 34.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.643 HG13 ' HB3' ' A' ' 55' ' ' LYS . 20.4 m -116.71 118.78 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.1 p -130.49 171.0 13.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.4 p -37.26 -42.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 65' ' ' TYR . 6.5 tpt180 -67.19 -62.57 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.489 ' CE2' HG12 ' A' ' 61' ' ' VAL . 84.4 t80 -34.9 -49.79 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.577 ' HD1' HD12 ' A' ' 103' ' ' ILE . 29.9 m-85 -64.23 -63.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -34.29 -61.43 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -58.53 -36.27 73.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.81 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 66' ' ' PHE . 10.7 ttt -65.09 -62.63 1.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.667 ' HB3' HD22 ' A' ' 100' ' ' LEU . 9.9 mt-30 -39.56 -43.11 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.15 -40.1 65.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -59.95 -36.13 76.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.979 HD22 HD23 ' A' ' 99' ' ' LEU . 3.7 pp -88.72 -43.86 10.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.666 ' N ' HD12 ' A' ' 73' ' ' LEU . 17.4 mt-10 -50.71 -58.19 6.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -43.2 -53.57 5.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 77' ' ' LEU . 74.4 mt -42.58 -41.51 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.916 HD13 HG11 ' A' ' 96' ' ' VAL . 29.5 tp -36.05 -35.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.549 ' NE2' ' OE1' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -46.39 -51.8 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.691 ' OD1' HG13 ' A' ' 37' ' ' VAL . 6.8 m-20 -38.25 -35.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.49 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -84.0 -55.98 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.605 ' CE1' HD21 ' A' ' 77' ' ' LEU . 7.8 m170 -62.41 -7.76 4.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.549 ' OE1' ' NE2' ' A' ' 78' ' ' GLN . 15.1 mt-10 -86.35 -49.97 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.703 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -115.71 -73.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.743 ' OG ' HG22 ' A' ' 89' ' ' VAL . 95.6 p -34.75 152.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.569 ' O ' HG23 ' A' ' 89' ' ' VAL . 0.7 OUTLIER -98.86 158.08 15.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 85' ' ' ASP . 60.0 p -32.36 -38.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 85' ' ' ASP . 5.0 mp0 -61.09 -65.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -60.55 -33.66 72.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.943 HG12 HG23 ' A' ' 93' ' ' VAL . 15.9 t -70.89 -25.13 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.4 p -58.36 -36.34 73.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 22.8 t80 -67.22 -58.92 3.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 95' ' ' LEU . 12.2 mm -60.5 -52.53 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.943 HG23 HG12 ' A' ' 89' ' ' VAL . 3.0 t -38.4 -49.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -52.51 -43.66 65.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.58 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.7 mp -64.64 -69.28 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.916 HG11 HD13 ' A' ' 77' ' ' LEU . 4.8 p -38.07 -35.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -79.06 -64.98 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 101' ' ' ILE . 9.0 mttm -43.55 -48.84 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.979 HD23 HD22 ' A' ' 73' ' ' LEU . 11.4 tp -43.1 -46.18 5.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.796 HD21 HD11 ' A' ' 73' ' ' LEU . 7.8 mt -71.87 -24.5 61.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 98' ' ' LYS . 13.8 mt -80.95 -16.07 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.456 HG23 ' HB2' ' A' ' 17' ' ' ARG . 13.2 mt -96.74 -63.1 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.093 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.577 HD12 ' HD1' ' A' ' 66' ' ' PHE . 24.5 pt -50.26 -29.03 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 105' ' ' ARG . 3.1 m -42.4 102.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.504 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 0.7 OUTLIER -33.73 -59.54 0.5 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.617 0.723 . . . . 0.0 110.864 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 54.1 Cg_endo -69.78 -48.29 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.74 2.293 . . . . 0.0 112.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 51.5 41.63 28.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.2 tpt85 67.94 43.31 1.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.5 m -120.14 -44.43 2.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.422 ' HA2' ' HD2' ' A' ' 111' ' ' PRO . . . 64.84 110.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.422 ' HD2' ' HA2' ' A' ' 110' ' ' GLY . 54.0 Cg_endo -69.74 133.88 26.67 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.336 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.6 m 42.82 41.01 2.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.5 t -118.27 158.36 25.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.505 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t 71.51 42.2 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -38.68 149.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.71 90.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 t -58.4 146.26 35.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.2 p -96.71 -52.94 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.52 152.63 8.64 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 9' ' ' LYS . 54.0 Cg_endo -69.79 -0.86 7.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 0.0 112.327 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 8' ' ' PRO . 31.9 pttt -35.27 -48.71 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.31 -59.88 2.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -122.68 45.84 2.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.169 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 13' ' ' GLN . . . -84.17 -65.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 12' ' ' ALA . 32.0 tt0 -35.99 -54.72 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.471 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER -47.71 -60.82 2.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.471 ' N ' ' SD ' ' A' ' 14' ' ' MET . 57.5 mt-10 -41.16 -59.34 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -38.85 -39.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.45 ' HB2' HG23 ' A' ' 102' ' ' ILE . 56.0 mtp85 -63.48 -65.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.487 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.4 mt -36.0 -39.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.647 ' OE1' HD13 ' A' ' 53' ' ' LEU . 15.5 mm-40 -59.49 -49.3 78.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' ARG . 14.3 tt0 -71.88 -25.67 62.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.401 ' CE1' ' HD2' ' A' ' 25' ' ' TYR . 4.5 t80 -58.12 -39.48 78.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.696 HD21 ' HB3' ' A' ' 49' ' ' ALA . 0.8 OUTLIER -81.58 -43.62 18.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.7 m -53.56 -25.53 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.24 -34.57 12.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.786 ' HB3' HD21 ' A' ' 95' ' ' LEU . 7.8 m-85 -112.8 48.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.0 114.05 61.57 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 111.075 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 53.7 Cg_endo -69.74 99.64 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.704 2.269 . . . . 0.0 112.372 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 124.78 -28.54 5.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.81 -61.98 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.739 0.304 . . . . 0.0 111.072 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.477 ' HD3' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -128.52 -29.1 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.481 ' HG ' ' N ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -131.43 149.4 52.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.481 ' N ' ' HG ' ' A' ' 31' ' ' LEU . . . -160.45 134.6 7.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.667 HD13 HD11 ' A' ' 38' ' ' LEU . 21.9 mt -100.2 110.66 22.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 35' ' ' ASP . . . -61.84 -37.28 83.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.427 ' HB3' HD12 ' A' ' 38' ' ' LEU . 10.2 t0 -36.18 135.38 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.94 -99.93 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.46 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.704 HG13 ' OD1' ' A' ' 79' ' ' ASP . 6.5 t -38.33 -65.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.889 0.376 . . . . 0.0 111.075 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.667 HD11 HD13 ' A' ' 33' ' ' LEU . 1.6 tm? -35.76 -49.88 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.451 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -60.66 -39.27 96.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.526 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 37' ' ' VAL . 8.7 t80 -40.24 -28.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.854 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.595 HD11 ' HB2' ' A' ' 79' ' ' ASP . 10.9 mt -76.78 -56.39 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -52.26 -48.29 65.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -63.39 -41.14 98.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.444 ' OE1' HD22 ' A' ' 76' ' ' LEU . 58.0 mt-30 -64.72 -66.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.685 HG23 HD22 ' A' ' 99' ' ' LEU . 84.2 mt -45.76 -65.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.408 HG21 ' HD3' ' A' ' 27' ' ' PRO . 38.3 t -41.43 -34.97 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -77.14 -35.69 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.5 mt -66.98 -56.03 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.696 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -38.69 -47.41 1.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.649 ' HD3' HD13 ' A' ' 22' ' ' LEU . 13.3 mmm180 -46.64 -50.81 17.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.33 -50.3 62.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.469 ' SG ' HG22 ' A' ' 103' ' ' ILE . 8.6 t -43.54 -58.57 2.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.647 HD13 ' OE1' ' A' ' 19' ' ' GLN . 53.5 mt -50.44 -56.7 10.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.07 -28.8 11.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.671 ' CB ' HG13 ' A' ' 61' ' ' VAL . 26.0 mmtt -78.22 -63.35 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.8 m -48.75 -40.7 29.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.66 -31.28 53.0 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -112.14 1.55 16.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 t30 71.31 45.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 mt -97.86 -20.61 17.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.671 HG13 ' CB ' ' A' ' 55' ' ' LYS . 31.0 m -70.76 133.75 31.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.8 p -133.49 164.53 26.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.5 t -41.55 -48.93 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' TYR . 9.0 tpt180 -62.26 -52.37 64.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.528 ' CE2' HG12 ' A' ' 61' ' ' VAL . 58.7 t80 -37.27 -57.19 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.538 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 22.0 m-85 -62.16 -63.18 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PHE . 3.9 mt -36.8 -46.59 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -74.76 -45.75 41.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.9 ttt -52.62 -38.11 59.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -62.93 -45.43 92.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -71.07 -34.32 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -63.96 -41.59 97.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.928 HD11 HD21 ' A' ' 100' ' ' LEU . 3.7 pp -83.84 -48.33 10.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.765 ' N ' HD12 ' A' ' 73' ' ' LEU . 25.7 mt-10 -43.78 -66.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -37.61 -56.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 73' ' ' LEU . 65.4 mt -39.58 -41.23 0.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.801 HD13 HG11 ' A' ' 96' ' ' VAL . 31.4 tp -35.62 -40.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.53 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.8 pp0? -44.57 -49.67 10.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.704 ' OD1' HG13 ' A' ' 37' ' ' VAL . 6.8 m-20 -40.56 -36.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.593 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -81.8 -58.49 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.469 ' CD2' ' CG1' ' A' ' 89' ' ' VAL . 7.9 m170 -60.99 -8.59 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 78' ' ' GLN . 27.6 mm-40 -83.76 -68.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.633 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -99.6 -54.02 3.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.797 ' HB3' HG22 ' A' ' 89' ' ' VAL . 5.2 t -43.35 156.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.721 ' O ' HG23 ' A' ' 89' ' ' VAL . 6.3 m-20 -103.76 154.01 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.0 p -38.07 -27.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 85' ' ' ASP . 31.0 mt-10 -69.27 -66.24 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.488 ' OE1' ' CD2' ' A' ' 33' ' ' LEU . 6.3 mm-40 -63.88 -40.93 97.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.797 HG22 ' HB3' ' A' ' 84' ' ' SER . 17.4 t -55.25 -38.41 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.4 t -48.63 -50.24 33.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.463 ' CZ ' HD13 ' A' ' 31' ' ' LEU . 30.0 t80 -55.03 -63.81 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.643 HD11 ' CD1' ' A' ' 33' ' ' LEU . 8.7 mm -48.95 -50.74 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.465 HG23 HG12 ' A' ' 89' ' ' VAL . 10.5 t -44.99 -46.36 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -56.45 -47.94 78.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.786 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.1 mp -61.99 -67.19 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.801 HG11 HD13 ' A' ' 77' ' ' LEU . 5.6 p -38.74 -38.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.476 ' HG2' ' N ' ' A' ' 98' ' ' LYS . 3.0 ttt85 -76.93 -64.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.476 ' N ' ' HG2' ' A' ' 97' ' ' ARG . 25.6 mttp -40.74 -46.6 2.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.685 HD22 HG23 ' A' ' 45' ' ' ILE . 23.3 tp -47.97 -46.21 32.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.928 HD21 HD11 ' A' ' 73' ' ' LEU . 10.3 mt -70.75 -27.27 63.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 11.1 mt -76.92 -18.62 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.45 HG23 ' HB2' ' A' ' 17' ' ' ARG . 15.4 mt -93.13 -61.65 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.076 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.538 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 32.5 pt -50.62 -28.47 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.6 m -45.19 116.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.642 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 1.4 tmt_? -47.37 -52.09 38.58 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.58 0.705 . . . . 0.0 110.835 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 54.0 Cg_endo -69.69 -43.37 2.76 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 50.63 38.76 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.079 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -117.48 94.13 4.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.2 t -52.12 -45.74 65.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 167.67 -96.47 0.12 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 148.63 65.23 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.714 2.276 . . . . 0.0 112.343 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.6 m -124.34 140.68 52.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.5 p -118.8 42.35 2.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -112.49 108.9 18.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.362 . . . . 0.0 110.846 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 t -81.37 141.78 33.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.72 -173.36 17.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.7 p -89.52 115.86 27.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.38 . . . . 0.0 110.834 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 m -117.88 153.59 33.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.5 142.3 12.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.46 5.7 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.67 -60.15 1.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.97 133.07 50.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.675 HG22 ' HB3' ' A' ' 14' ' ' MET . 6.4 m 73.4 33.43 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.44 -58.84 3.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -46.6 -41.06 13.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.675 ' HB3' HG22 ' A' ' 11' ' ' THR . 7.1 ttt -57.02 -57.54 12.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -45.19 -52.79 8.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.99 -37.75 9.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 18' ' ' LEU . 62.2 mtt180 -67.26 -63.03 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.468 ' HG ' HG21 ' A' ' 102' ' ' ILE . 4.8 mt -36.56 -40.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -58.86 -56.04 27.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -62.78 -30.76 71.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -57.21 -44.54 83.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.659 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.5 mt -79.09 -46.15 18.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.9 m -53.19 -23.5 8.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.75 -36.51 10.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.688 ' HB3' HD21 ' A' ' 95' ' ' LEU . 17.6 m-85 -114.22 65.69 0.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . . . -105.13 114.06 63.98 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.614 0.721 . . . . 0.0 111.092 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.48 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.9 Cg_endo -69.75 111.64 2.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.61 -17.94 54.11 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . . . -74.95 -54.55 7.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.599 HH11 HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -130.63 -29.15 1.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.599 HD22 HH11 ' A' ' 30' ' ' ARG . 1.5 pt? -122.51 -179.51 4.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.954 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.33 118.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.764 HD13 HD11 ' A' ' 38' ' ' LEU . 55.7 mt -92.07 85.35 5.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.31 -43.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.426 ' CG ' ' HB3' ' A' ' 38' ' ' LEU . 6.1 t0 -38.43 128.31 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.63 -94.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.786 HG13 ' OD1' ' A' ' 79' ' ' ASP . 12.3 t -38.39 -65.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 111.105 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.764 HD11 HD13 ' A' ' 33' ' ' LEU . 2.0 tm? -35.72 -57.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.554 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -56.06 -35.54 64.68 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 37' ' ' VAL . 7.0 t80 -41.15 -31.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.64 HD11 ' HB2' ' A' ' 79' ' ' ASP . 15.5 mt -73.95 -59.66 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.679 ' O ' HG23 ' A' ' 46' ' ' VAL . 18.0 t-160 -46.06 -43.49 14.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -68.89 -53.71 19.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.418 ' OE1' HD22 ' A' ' 76' ' ' LEU . 62.3 mt-30 -53.21 -60.69 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.714 HG23 HD22 ' A' ' 99' ' ' LEU . 93.3 mt -50.1 -63.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 42' ' ' HIS . 75.4 t -45.16 -28.3 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.38 -40.26 36.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.6 mt -66.75 -48.36 69.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.659 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -44.71 -49.08 10.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -48.61 -52.3 23.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -48.03 -50.85 26.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' LYS . 5.1 t -46.91 -64.91 0.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' A' ' 18' ' ' LEU . 18.8 mt -36.53 -58.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.05 -38.43 65.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.665 ' CB ' HG13 ' A' ' 61' ' ' VAL . 34.5 mmtt -65.73 -66.79 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.9 p -44.63 -40.13 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.96 -40.91 83.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.449 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -104.26 13.22 32.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.2 m120 59.95 50.3 6.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.437 ' HB2' ' CD ' ' A' ' 55' ' ' LYS . 7.0 mt -102.23 -24.52 13.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.665 HG13 ' CB ' ' A' ' 55' ' ' LYS . 23.1 m -65.88 118.44 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.5 p -120.06 163.06 18.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.0 p -37.65 -57.88 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 tpp85 -56.03 -49.81 72.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.642 ' CE2' HG12 ' A' ' 61' ' ' VAL . 61.3 t80 -39.19 -48.15 1.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.566 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.3 m-85 -71.94 -64.17 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' PHE . 3.0 mp -33.97 -53.86 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -64.59 -42.37 95.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.646 ' HG3' HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -57.9 -51.38 69.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.42 ' HA ' HD21 ' A' ' 100' ' ' LEU . 20.9 mt-30 -53.19 -49.92 65.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -65.87 -36.08 82.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -64.58 -50.3 67.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.887 HD11 HD21 ' A' ' 100' ' ' LEU . 3.7 pp -71.51 -44.24 65.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.714 ' N ' HD12 ' A' ' 73' ' ' LEU . 14.1 mt-10 -49.28 -63.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.5 tpp85 -41.65 -54.84 3.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 73' ' ' LEU . 95.3 mt -40.43 -40.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.748 HD13 HG11 ' A' ' 96' ' ' VAL . 32.7 tp -35.81 -39.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.517 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.9 pp0? -44.57 -49.32 10.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.786 ' OD1' HG13 ' A' ' 37' ' ' VAL . 7.7 m-20 -40.54 -37.2 0.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.542 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -82.11 -59.63 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.468 ' CE1' HD21 ' A' ' 77' ' ' LEU . 7.9 m170 -60.56 -8.73 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 78' ' ' GLN . 7.5 mt-10 -80.95 -65.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.509 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -104.8 -58.66 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.2 t -38.88 156.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 87' ' ' GLU . 14.6 m-20 -102.11 157.29 16.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.5 p -39.61 -27.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 85' ' ' ASP . 10.7 tp10 -69.16 -66.2 0.61 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -62.36 -38.59 90.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.526 HG12 HG23 ' A' ' 93' ' ' VAL . 89.9 t -57.2 -46.14 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.2 t -45.53 -41.87 10.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.442 ' CE2' HD11 ' A' ' 31' ' ' LEU . 35.9 t80 -60.34 -58.12 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.1 mm -57.93 -52.99 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.526 HG23 HG12 ' A' ' 89' ' ' VAL . 39.3 t -39.65 -47.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -54.17 -44.66 71.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.688 HD21 ' HB3' ' A' ' 25' ' ' TYR . 5.0 mp -65.32 -66.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.748 HG11 HD13 ' A' ' 77' ' ' LEU . 5.9 p -43.16 -35.9 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -76.34 -62.56 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 101' ' ' ILE . 10.7 mttm -44.48 -53.57 6.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.887 HD23 HD22 ' A' ' 73' ' ' LEU . 28.2 tp -39.92 -44.68 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.887 HD21 HD11 ' A' ' 73' ' ' LEU . 21.1 mt -71.19 -33.53 70.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 98' ' ' LYS . 14.5 mt -71.63 -26.23 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.468 HG21 ' HG ' ' A' ' 18' ' ' LEU . 17.7 mt -82.27 -63.13 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.566 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 18.4 pt -52.83 -37.23 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.8 p -38.86 108.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.546 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 14.7 ttt-85 -38.95 -57.71 1.98 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.593 0.711 . . . . 0.0 110.834 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.9 Cg_endo -69.76 138.63 38.29 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.679 2.253 . . . . 0.0 112.305 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -174.35 161.12 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.7 149.98 21.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.4 p -129.81 128.73 42.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 120.11 135.16 4.91 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 112' ' ' SER . 54.2 Cg_endo -69.72 105.58 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 111' ' ' PRO . 92.0 p 36.34 42.03 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.1 t -95.46 117.69 30.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.814 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -82.52 92.43 7.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 t 46.63 45.16 14.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.55 -154.66 6.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 p -156.35 121.32 4.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.389 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -109.03 107.1 17.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.76 -178.35 30.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.659 ' HB2' ' HB2' ' A' ' 12' ' ' ALA . 53.8 Cg_endo -69.78 -164.0 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 12' ' ' ALA . 23.7 mmmt -125.83 168.54 13.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 9' ' ' LYS . . . -34.9 -37.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.54 44.31 1.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.659 ' HB2' ' HB2' ' A' ' 8' ' ' PRO . . . -81.31 -52.96 6.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -43.17 -47.41 6.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.1 ttt -55.62 -50.22 70.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -49.3 -58.29 5.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.05 -33.77 0.26 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.559 ' HB2' HG23 ' A' ' 102' ' ' ILE . 46.7 mtp85 -68.28 -58.31 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.42 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.3 mt -43.44 -38.98 3.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -56.84 -54.09 50.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -63.43 -33.93 76.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -55.07 -45.5 75.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.608 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.2 mt -76.99 -44.76 29.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.9 m -54.11 -25.17 20.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.52 -33.47 11.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.696 ' HB3' HD21 ' A' ' 95' ' ' LEU . 20.3 m-85 -117.45 76.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.581 ' CB ' ' HB3' ' A' ' 29' ' ' ALA . . . -118.76 115.37 35.21 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 111.079 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.714 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.0 Cg_endo -69.77 112.31 3.05 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.635 2.224 . . . . 0.0 112.367 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.04 -34.97 4.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.581 ' HB3' ' CB ' ' A' ' 26' ' ' ALA . . . -58.57 -53.46 58.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 111.11 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.561 ' CD ' HD23 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -131.35 -31.81 1.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 32' ' ' ALA . 1.1 pp -149.68 169.62 20.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.706 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -161.2 -175.31 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.639 HD13 HD11 ' A' ' 38' ' ' LEU . 11.0 mt -124.51 138.24 54.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.6 -24.8 33.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.047 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 36' ' ' GLY . 7.4 t70 -42.42 165.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' A' ' 35' ' ' ASP . . . -79.25 -121.11 0.32 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.519 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.501 HG12 ' HG3' ' A' ' 83' ' ' ARG . 0.4 OUTLIER -49.56 -35.3 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.885 0.374 . . . . 0.0 111.169 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.743 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.3 tm? -35.91 -58.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.691 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -47.82 -37.9 15.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.495 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 37' ' ' VAL . 1.8 t80 -35.13 -45.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.868 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.483 HD11 ' HB2' ' A' ' 79' ' ' ASP . 13.5 mt -59.61 -68.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 41' ' ' ILE . 3.6 t60 -36.69 -42.0 0.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -63.78 -49.18 73.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.559 ' OE1' HD22 ' A' ' 76' ' ' LEU . 55.9 mt-30 -61.42 -63.25 1.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.506 HG23 HD22 ' A' ' 99' ' ' LEU . 96.8 mt -44.43 -66.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.714 HG21 ' HD3' ' A' ' 27' ' ' PRO . 20.9 t -39.14 -42.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.84 -42.8 76.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 45' ' ' ILE . 14.7 mt -60.97 -46.68 89.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.608 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -50.27 -50.64 49.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -47.52 -53.07 15.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -47.45 -54.19 12.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' LYS . 3.9 t -43.15 -63.88 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.42 HD21 ' HB2' ' A' ' 18' ' ' LEU . 18.3 mt -38.38 -57.82 1.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.32 -34.23 32.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.677 ' CB ' HG13 ' A' ' 61' ' ' VAL . 28.5 mmtm -71.95 -66.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 t -42.79 -41.58 3.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.69 -37.7 62.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.526 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.421 ' HB2' HD21 ' A' ' 60' ' ' LEU . 3.4 mt-10 -105.58 4.68 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.5 t30 66.8 45.8 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.421 HD21 ' HB2' ' A' ' 58' ' ' GLU . 6.2 mt -97.82 -21.87 16.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.681 HG12 ' CE2' ' A' ' 65' ' ' TYR . 20.1 m -67.95 128.55 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.3 p -132.97 166.97 21.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.0 p -37.63 -57.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -54.94 -53.29 57.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.681 ' CE2' HG12 ' A' ' 61' ' ' VAL . 47.7 t80 -39.31 -48.92 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.524 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 22.0 m-85 -72.0 -63.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.5 mp -35.61 -57.25 0.64 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.2 -47.25 85.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.551 ' HG3' HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -51.73 -41.98 61.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -61.81 -54.05 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.93 -30.6 71.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -67.86 -52.03 41.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.879 HD22 HD23 ' A' ' 99' ' ' LEU . 3.6 pp -70.4 -46.19 64.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.733 ' N ' HD12 ' A' ' 73' ' ' LEU . 18.0 mt-10 -46.92 -63.24 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -40.65 -53.8 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.559 HD22 ' OE1' ' A' ' 44' ' ' GLN . 68.3 mt -43.15 -42.91 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.697 HD13 HG11 ' A' ' 96' ' ' VAL . 29.8 tp -35.57 -33.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' LEU . 4.1 pp0? -45.77 -51.21 13.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.483 ' HB2' HD11 ' A' ' 41' ' ' ILE . 7.8 m-20 -43.22 -41.18 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.588 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -75.44 -59.27 2.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.586 ' CE1' HD21 ' A' ' 77' ' ' LEU . 11.3 m170 -60.78 -8.71 3.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 78' ' ' GLN . 41.9 mm-40 -83.02 -68.86 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.501 ' HG3' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -99.5 -59.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.629 ' HB3' HG22 ' A' ' 89' ' ' VAL . 7.7 t -35.87 152.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' GLU . 1.0 OUTLIER -102.34 150.57 23.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 85' ' ' ASP . 85.7 p -34.09 -35.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 85' ' ' ASP . 18.2 tt0 -59.74 -65.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -66.56 -45.49 79.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.629 HG22 ' HB3' ' A' ' 84' ' ' SER . 64.1 t -46.65 -36.12 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.3 t -58.17 -42.41 85.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.509 ' HD2' HD11 ' A' ' 33' ' ' LEU . 20.3 t80 -56.52 -61.88 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.536 HD11 ' CD1' ' A' ' 33' ' ' LEU . 11.4 mm -56.18 -52.56 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 89' ' ' VAL . 17.5 t -37.81 -48.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -51.99 -43.56 63.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.696 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.8 mp -66.78 -70.04 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.697 HG11 HD13 ' A' ' 77' ' ' LEU . 7.5 p -39.33 -35.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.469 ' HG2' ' N ' ' A' ' 98' ' ' LYS . 6.8 ttt180 -79.54 -64.42 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.469 ' N ' ' HG2' ' A' ' 97' ' ' ARG . 13.1 mttm -40.54 -52.26 2.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.879 HD23 HD22 ' A' ' 73' ' ' LEU . 34.9 tp -41.44 -49.85 3.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.723 HD21 HD11 ' A' ' 73' ' ' LEU . 18.5 mt -64.79 -30.11 71.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 98' ' ' LYS . 3.7 mt -75.97 -21.71 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.559 HG23 ' HB2' ' A' ' 17' ' ' ARG . 10.5 mt -92.24 -63.09 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.524 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 26.0 pt -49.09 -27.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.2 m -61.73 112.77 2.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.645 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 12.7 ttt180 -52.1 -52.04 65.89 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.645 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.8 Cg_endo -69.82 -43.03 2.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 43.63 39.01 2.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.6 ttt180 -150.16 159.46 44.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.8 m 56.68 44.0 24.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -98.03 -92.95 1.95 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 100.01 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.719 2.279 . . . . 0.0 112.316 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 43.2 p -150.52 158.87 44.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.8 t -57.07 131.82 51.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -100.54 101.18 12.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -115.43 161.87 17.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.95 142.53 17.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 m -131.86 88.1 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.352 . . . . 0.0 110.829 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 p -90.73 81.92 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.47 158.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' LYS . 53.5 Cg_endo -69.79 -39.15 6.78 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.258 . . . . 0.0 112.335 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' PRO . 1.3 tppt? 34.37 39.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.45 115.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 50.64 48.57 22.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 13' ' ' GLN . . . -90.65 -68.56 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.058 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' ALA . 8.5 tt0 -35.17 -43.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.486 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -56.03 -55.31 34.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.837 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.486 ' N ' ' SD ' ' A' ' 14' ' ' MET . 65.8 mt-10 -42.03 -56.16 2.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.83 -36.6 8.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.54 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.564 ' HB2' HG23 ' A' ' 102' ' ' ILE . 69.5 mtp85 -63.55 -62.91 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.339 . . . . 0.0 110.843 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.621 ' HG ' HG21 ' A' ' 102' ' ' ILE . 2.8 mt -42.74 -35.1 1.04 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -59.5 -53.98 51.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -69.14 -29.79 67.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -55.08 -45.34 75.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.652 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.0 OUTLIER -78.34 -46.17 20.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.4 m -50.9 -25.4 4.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.22 -35.33 10.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.664 ' HB3' HD21 ' A' ' 95' ' ' LEU . 17.4 m-85 -113.9 67.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.897 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.24 121.28 39.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.585 0.707 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 110.85 2.65 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.252 . . . . 0.0 112.375 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.54 -28.47 14.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.83 -69.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.41 -17.38 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.407 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 1.4 pt? -129.15 177.46 7.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.02 113.96 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.724 HD13 HD11 ' A' ' 38' ' ' LEU . 57.5 mt -86.33 80.08 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.98 -41.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.406 ' CG ' ' HB3' ' A' ' 38' ' ' LEU . 7.8 t0 -37.17 132.28 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.66 -98.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.538 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.769 HG13 ' OD1' ' A' ' 79' ' ' ASP . 14.0 t -37.69 -66.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.724 HD11 HD13 ' A' ' 33' ' ' LEU . 1.8 tm? -35.97 -50.65 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 41' ' ' ILE . . . -61.28 -40.88 99.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.518 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.492 ' CE2' ' NE2' ' A' ' 44' ' ' GLN . 10.6 t80 -40.16 -27.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.641 HD11 ' CB ' ' A' ' 79' ' ' ASP . 10.8 mt -76.25 -54.96 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.178 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -52.98 -42.01 65.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -70.33 -40.63 74.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.492 ' NE2' ' CE2' ' A' ' 40' ' ' PHE . 66.5 mt-30 -65.71 -65.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.64 HG23 HD22 ' A' ' 99' ' ' LEU . 88.2 mt -47.43 -66.79 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -38.02 -40.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -69.9 -39.52 76.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 45' ' ' ILE . 13.8 mt -63.89 -46.62 84.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.652 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -48.74 -48.85 40.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -46.06 -50.54 15.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.42 -41.47 69.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.656 ' SG ' HG22 ' A' ' 103' ' ' ILE . 2.2 t -52.26 -58.48 6.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' A' ' 18' ' ' LEU . 42.4 mt -48.82 -57.04 7.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.65 -33.29 32.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.68 ' CB ' HG13 ' A' ' 61' ' ' VAL . 35.6 mmtt -71.75 -66.35 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 65.4 m -44.71 -39.72 5.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.52 -38.97 72.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -104.1 5.01 34.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 66.98 47.25 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 62' ' ' THR . 6.2 mt -97.5 -34.56 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.68 HG13 ' CB ' ' A' ' 55' ' ' LYS . 28.9 m -54.54 116.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 60' ' ' LEU . 61.9 p -120.9 160.18 23.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 62' ' ' THR . 22.4 p -34.86 -49.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -60.01 -52.19 66.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.66 ' CE2' HG12 ' A' ' 61' ' ' VAL . 23.3 t80 -40.7 -55.47 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 24.3 m-85 -63.71 -63.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' PHE . 4.4 mt -37.12 -49.44 0.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -70.41 -46.74 63.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.609 ' HG3' HD23 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -51.41 -52.67 44.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -53.28 -49.27 67.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.87 -28.91 67.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -72.04 -44.45 63.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.955 HD11 HD21 ' A' ' 100' ' ' LEU . 3.5 pp -78.05 -49.42 14.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.789 ' N ' HD12 ' A' ' 73' ' ' LEU . 16.4 mt-10 -43.78 -63.66 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 75' ' ' ARG . 0.7 OUTLIER -39.24 -56.22 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' LEU . 80.1 mt -40.73 -39.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.891 HD13 HG11 ' A' ' 96' ' ' VAL . 28.1 tp -35.89 -39.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.52 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.8 pp0? -48.1 -49.22 32.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.769 ' OD1' HG13 ' A' ' 37' ' ' VAL . 5.8 m-20 -40.59 -38.38 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.56 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -80.88 -60.88 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.401 ' CE1' ' HG ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -57.14 -11.63 1.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.8 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.13 -65.85 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.487 ' N ' ' HD2' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -107.92 -47.91 3.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.699 ' HB3' HG22 ' A' ' 89' ' ' VAL . 8.2 t -46.04 143.02 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.614 ' O ' HG23 ' A' ' 89' ' ' VAL . 10.1 t70 -92.31 153.85 18.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 85' ' ' ASP . 71.6 p -37.26 -27.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 85' ' ' ASP . 46.4 mt-10 -67.56 -66.29 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -65.45 -36.83 85.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.699 HG22 ' HB3' ' A' ' 84' ' ' SER . 40.9 t -57.92 -44.65 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.3 t -48.41 -44.25 34.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.407 ' CE2' ' CD1' ' A' ' 31' ' ' LEU . 27.7 t80 -57.36 -63.12 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.721 HD11 ' CD1' ' A' ' 33' ' ' LEU . 17.0 mm -53.73 -48.49 60.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.449 HG23 HG12 ' A' ' 89' ' ' VAL . 12.9 t -41.63 -47.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -53.91 -44.17 70.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 25' ' ' TYR . 5.0 mp -64.13 -70.2 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.891 HG11 HD13 ' A' ' 77' ' ' LEU . 7.0 p -38.73 -36.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -77.98 -66.27 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 101' ' ' ILE . 10.3 mttm -40.44 -52.56 2.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.891 HD23 HD22 ' A' ' 73' ' ' LEU . 21.8 tp -42.75 -43.95 4.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.955 HD21 HD11 ' A' ' 73' ' ' LEU . 11.6 mt -72.18 -27.56 62.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 98' ' ' LYS . 5.6 mt -81.03 -19.6 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.621 HG21 ' HG ' ' A' ' 18' ' ' LEU . 19.0 mt -88.28 -61.62 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.656 HG22 ' SG ' ' A' ' 52' ' ' CYS . 14.7 pt -54.62 -26.76 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 m -53.99 113.9 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.642 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 7.7 ttm180 -48.05 -52.1 43.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.5 Cg_endo -69.85 139.44 39.92 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.317 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -165.22 120.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -94.85 129.91 41.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 84.5 p -146.34 170.85 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 164.31 -160.63 33.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 112' ' ' SER . 53.5 Cg_endo -69.75 -7.36 20.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.647 2.231 . . . . 0.0 112.344 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 111' ' ' PRO . 24.5 m -34.5 101.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 93.2 p -171.62 116.08 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -106.48 113.06 26.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.839 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.6 m -38.58 -49.39 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.56 178.39 15.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 t -63.74 -45.28 90.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -98.02 -50.43 4.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.16 -157.37 28.93 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.637 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 53.8 Cg_endo -69.79 86.2 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.71 2.273 . . . . 0.0 112.323 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.26 -43.05 32.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.68 146.03 27.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 p 47.78 25.7 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 8' ' ' PRO . . . -40.86 -71.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -39.18 -63.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.491 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -45.44 -62.86 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.502 ' O ' HD21 ' A' ' 53' ' ' LEU . 11.6 mt-10 -42.32 -51.79 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.12 -40.37 43.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -62.39 -60.14 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.43 ' HG ' HG21 ' A' ' 102' ' ' ILE . 4.3 mt -38.7 -33.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -64.77 -50.94 64.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -68.15 -29.78 68.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -55.58 -44.64 77.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.703 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.1 mt -78.73 -44.75 22.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.3 m -55.71 -24.99 37.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.77 -39.5 10.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -114.4 63.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.19 125.47 35.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.54 0.686 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.618 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.6 Cg_endo -69.81 102.16 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.54 -30.61 7.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.64 -65.27 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.457 ' HD3' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -128.55 -27.96 2.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.587 HD11 ' CE2' ' A' ' 91' ' ' PHE . 1.1 pt? -118.73 178.56 4.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.05 110.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.851 HD13 HD11 ' A' ' 38' ' ' LEU . 61.0 mt -81.12 83.37 6.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.72 -45.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.437 ' CG ' ' HB3' ' A' ' 38' ' ' LEU . 19.3 t0 -34.51 129.42 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' VAL . . . -65.72 -97.6 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.452 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.794 HG13 ' OD1' ' A' ' 79' ' ' ASP . 10.4 t -36.91 -64.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 0.0 111.174 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.851 HD11 HD13 ' A' ' 33' ' ' LEU . 2.2 tm? -35.77 -61.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.591 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -53.49 -37.5 56.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' VAL . 7.2 t80 -39.32 -32.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.355 . . . . 0.0 110.918 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.578 HD11 ' N ' ' A' ' 80' ' ' ALA . 14.4 mt -70.63 -59.82 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.54 ' HB2' HD12 ' A' ' 92' ' ' ILE . 16.7 t-160 -47.82 -46.77 31.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -63.56 -47.58 80.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -60.78 -69.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.696 HG23 HD22 ' A' ' 99' ' ' LEU . 97.7 mt -41.06 -56.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.618 HG21 ' HD3' ' A' ' 27' ' ' PRO . 18.7 t -47.97 -39.63 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -70.4 -39.29 74.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.53 -50.55 69.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.703 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -43.84 -49.06 8.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -46.6 -51.81 14.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.23 -47.15 55.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 55' ' ' LYS . 6.2 t -46.38 -63.88 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.502 HD21 ' O ' ' A' ' 15' ' ' GLU . 47.8 mt -41.38 -57.97 2.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.25 -31.72 21.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.64 ' CB ' HG13 ' A' ' 61' ' ' VAL . 48.1 mmtt -76.44 -59.99 2.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.2 p -51.47 -37.3 48.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.13 -40.65 95.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.544 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -102.46 9.99 39.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.843 0.354 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.407 ' C ' HD23 ' A' ' 60' ' ' LEU . 77.5 m-20 61.66 49.84 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.455 ' N ' HD23 ' A' ' 60' ' ' LEU . 5.3 mt -99.92 -27.91 13.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.64 HG13 ' CB ' ' A' ' 55' ' ' LYS . 35.4 m -63.65 121.52 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 63' ' ' SER . 69.2 p -123.44 158.13 31.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.197 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 62' ' ' THR . 2.5 m -34.55 -51.99 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -58.65 -52.47 65.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.424 ' CE2' HG12 ' A' ' 61' ' ' VAL . 58.3 t80 -39.9 -62.32 0.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.583 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.6 m-85 -55.91 -59.05 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 mt -41.01 -52.63 3.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -69.15 -37.45 78.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.4 ttt -61.23 -35.48 77.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -64.75 -43.97 91.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -70.35 -36.46 74.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -62.92 -45.64 91.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.975 HD11 HD21 ' A' ' 100' ' ' LEU . 3.6 pp -77.08 -46.64 22.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.743 ' N ' HD12 ' A' ' 73' ' ' LEU . 12.5 mt-10 -48.13 -62.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -39.49 -55.78 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 77' ' ' LEU . 91.8 mt -40.41 -41.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.783 HD13 HG11 ' A' ' 96' ' ' VAL . 20.9 tp -35.73 -39.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -45.79 -49.49 15.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.794 ' OD1' HG13 ' A' ' 37' ' ' VAL . 5.9 m-20 -40.99 -37.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.578 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -80.98 -58.07 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.435 ' CE1' ' HG ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -63.78 -7.42 7.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 78' ' ' GLN . 4.3 mm-40 -80.39 -64.18 1.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.559 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -107.62 -57.04 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.9 t -41.1 160.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.6 OUTLIER -105.77 154.16 20.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 85' ' ' ASP . 51.7 p -37.03 -28.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ASP . 3.6 tp10 -66.06 -64.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -64.3 -33.0 74.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.672 ' O ' HG23 ' A' ' 93' ' ' VAL . 60.5 t -65.15 -31.65 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.0 t -55.97 -44.74 78.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.587 ' CE2' HD11 ' A' ' 31' ' ' LEU . 42.6 t80 -61.86 -59.91 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.631 HD11 ' CD1' ' A' ' 33' ' ' LEU . 30.7 mm -54.47 -44.9 69.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 89' ' ' VAL . 15.2 t -45.72 -48.08 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -52.08 -44.32 64.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 mp -62.94 -70.97 0.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.783 HG11 HD13 ' A' ' 77' ' ' LEU . 6.8 p -39.41 -36.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -75.16 -65.42 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 101' ' ' ILE . 9.4 mttm -41.84 -53.82 3.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.904 HD23 HD22 ' A' ' 73' ' ' LEU . 25.4 tp -39.99 -46.54 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.975 HD21 HD11 ' A' ' 73' ' ' LEU . 14.2 mt -69.41 -30.58 68.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 98' ' ' LYS . 8.2 mt -78.28 -25.11 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.43 HG21 ' HG ' ' A' ' 18' ' ' LEU . 13.0 mt -86.31 -58.69 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.608 HG23 ' O ' ' A' ' 99' ' ' LEU . 24.4 pt -52.34 -26.52 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 m -47.3 108.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.81 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.647 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 5.8 ttm-85 -45.0 -52.06 20.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.66 0.743 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.647 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.5 Cg_endo -69.79 -44.42 2.07 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.329 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 55.92 38.8 30.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -82.29 126.74 32.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.1 t -78.37 107.7 11.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -167.75 -173.43 35.81 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 147.45 62.69 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 t -84.33 174.26 10.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.1 t -162.02 158.15 24.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 p -77.65 -57.95 3.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.863 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -86.59 144.91 26.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.01 174.7 28.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.3 p -76.33 107.94 8.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.844 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -80.49 -60.85 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.07 135.24 40.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.34 67.97 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.325 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -132.16 -36.76 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.0 -34.7 7.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 p -101.48 9.73 41.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.98 -41.39 64.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 tp60 -72.65 -31.16 64.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 6.1 ttt -71.76 -58.07 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 17' ' ' ARG . 15.6 mt-10 -45.48 -59.79 2.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -37.78 -30.56 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.513 ' HB2' HG23 ' A' ' 102' ' ' ILE . 61.2 mtp180 -74.47 -67.45 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.367 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.775 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.6 mt -37.11 -32.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' ARG . 67.9 mt-30 -62.59 -50.82 69.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 17' ' ' ARG . 13.4 tt0 -68.01 -29.83 68.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -57.26 -46.85 82.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.511 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.6 mt -74.24 -43.17 58.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.3 m -57.91 -21.57 44.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.82 -19.54 15.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.728 ' HB3' HD21 ' A' ' 95' ' ' LEU . 23.4 m-85 -134.13 89.2 2.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.425 ' HB3' ' HD2' ' A' ' 30' ' ' ARG . . . -129.86 123.05 20.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 111.078 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.744 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.82 123.16 9.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.322 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.21 -48.17 3.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.494 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.61 -32.61 59.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 111.103 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' HD2' ' HB3' ' A' ' 26' ' ' ALA . 0.6 OUTLIER -128.53 -70.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.886 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.62 HD11 ' CE2' ' A' ' 91' ' ' PHE . 4.0 pp -125.24 -174.62 3.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.455 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -161.73 178.32 9.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.927 HD13 HD11 ' A' ' 38' ' ' LEU . 9.2 mt -138.04 107.06 6.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -36.2 -48.74 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.442 ' CG ' ' HB3' ' A' ' 38' ' ' LEU . 44.1 t0 -43.68 128.97 5.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.26 -81.96 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.746 HG11 ' HD3' ' A' ' 83' ' ' ARG . 4.3 t -41.96 -63.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.927 HD11 HD13 ' A' ' 33' ' ' LEU . 2.0 tm? -35.92 -51.08 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.55 -39.38 94.94 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.466 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 37' ' ' VAL . 11.0 t80 -42.36 -27.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.899 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.599 HD11 ' HB2' ' A' ' 79' ' ' ASP . 10.4 mt -75.24 -54.0 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -51.78 -44.84 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -65.84 -48.02 73.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.818 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -59.35 -59.34 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.556 HG23 HD22 ' A' ' 99' ' ' LEU . 79.6 mt -51.79 -67.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.744 HG21 ' HD3' ' A' ' 27' ' ' PRO . 12.5 t -35.61 -44.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -66.66 -42.57 86.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 45' ' ' ILE . 11.8 mt -59.14 -49.36 78.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.511 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -46.9 -46.33 21.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 5.7 mmm180 -50.69 -50.65 54.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -48.79 -55.31 11.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.494 ' SG ' HG22 ' A' ' 103' ' ' ILE . 2.3 t -41.72 -62.91 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.775 HD21 ' HB2' ' A' ' 18' ' ' LEU . 62.6 mt -44.15 -59.55 2.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.8 -33.1 15.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.716 ' HB2' HG13 ' A' ' 61' ' ' VAL . 15.1 mmmt -75.88 -62.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 p -48.63 -40.99 29.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.11 -29.4 52.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.06 0.23 14.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.4 t30 71.23 42.77 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.413 ' N ' HD23 ' A' ' 60' ' ' LEU . 6.5 mt -93.95 -21.78 18.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.716 HG13 ' HB2' ' A' ' 55' ' ' LYS . 18.9 m -68.93 128.66 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 63' ' ' SER . 80.6 p -124.25 154.64 39.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 62' ' ' THR . 40.4 t -35.01 -45.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.463 ' HA ' ' NE ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -66.48 -52.29 47.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.495 ' CE2' HG12 ' A' ' 61' ' ' VAL . 85.3 t80 -35.04 -54.6 0.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 25.4 m-85 -60.79 -64.22 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.7 mp -35.01 -47.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 14.2 mm-40 -71.12 -39.73 71.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 66' ' ' PHE . 8.2 ttt -62.84 -55.85 22.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -44.89 -43.49 8.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 6.1 pt-20 -75.83 -32.07 59.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 32.0 mttm -66.27 -30.1 70.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.062 HD22 HD23 ' A' ' 99' ' ' LEU . 4.2 pp -96.54 -36.44 10.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.607 ' N ' HD12 ' A' ' 73' ' ' LEU . 13.7 mt-10 -57.33 -54.93 41.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -48.41 -56.16 8.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 77' ' ' LEU . 91.1 mt -41.01 -40.81 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.847 HD13 HG11 ' A' ' 96' ' ' VAL . 32.0 tp -35.92 -38.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.519 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.8 pp0? -45.49 -49.7 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.657 ' OD1' HG13 ' A' ' 37' ' ' VAL . 6.6 m-20 -40.54 -39.18 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.598 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -79.92 -58.06 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.52 ' CE1' HD21 ' A' ' 77' ' ' LEU . 10.1 m170 -58.78 -11.09 2.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -84.43 -69.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.746 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -94.88 -53.16 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.703 ' HB3' HG22 ' A' ' 89' ' ' VAL . 3.9 t -50.19 155.66 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' GLU . 1.1 m-20 -107.78 153.06 23.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 85' ' ' ASP . 24.9 p -35.12 -31.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ASP . 7.1 tp10 -66.33 -65.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.501 ' CD ' ' CD2' ' A' ' 33' ' ' LEU . 5.4 mm-40 -62.76 -43.44 98.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.942 HG12 HG23 ' A' ' 93' ' ' VAL . 35.2 t -54.14 -45.57 66.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.5 t -39.7 -38.8 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.62 ' CE2' HD11 ' A' ' 31' ' ' LEU . 25.7 t80 -64.79 -58.06 7.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 95' ' ' LEU . 20.6 mm -60.47 -53.91 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.942 HG23 HG12 ' A' ' 89' ' ' VAL . 10.5 t -37.51 -42.09 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -58.98 -44.09 91.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.728 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.6 mp -64.13 -63.85 1.04 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.847 HG11 HD13 ' A' ' 77' ' ' LEU . 4.0 p -45.03 -36.6 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -75.8 -63.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 101' ' ' ILE . 10.1 mttm -43.64 -48.63 7.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 1.062 HD23 HD22 ' A' ' 73' ' ' LEU . 15.3 tp -46.39 -40.37 11.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.806 HD21 HD11 ' A' ' 73' ' ' LEU . 10.3 mt -75.24 -23.32 57.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 98' ' ' LYS . 6.9 mt -84.53 -21.75 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.655 HG21 ' HG ' ' A' ' 18' ' ' LEU . 15.4 mt -86.22 -62.88 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 21.3 pt -53.87 -34.0 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 103' ' ' ILE . 22.1 p -34.19 117.45 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.642 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 3.7 ttt85 -49.92 -52.17 54.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.562 0.696 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 54.1 Cg_endo -69.71 -45.06 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 46.14 45.55 12.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -109.55 107.71 17.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.2 t -83.33 -51.6 7.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.829 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.93 83.87 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 147.96 64.22 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.0 m -75.58 -43.19 49.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.899 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.9 m 52.84 51.23 16.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.493 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -63.92 -58.21 7.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.883 0.373 . . . . 0.0 110.909 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 p -110.25 155.48 21.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.802 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.93 176.32 41.03 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 m -101.41 -47.68 4.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 m -106.99 102.76 12.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.28 -155.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 152.37 69.31 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.318 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -121.58 -45.79 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.13 -44.16 3.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.617 HG22 ' HB3' ' A' ' 14' ' ' MET . 7.1 m -90.34 42.12 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.06 -60.29 2.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -46.34 -39.36 10.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.617 ' HB3' HG22 ' A' ' 11' ' ' THR . 6.7 ttt -58.06 -57.03 14.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -47.23 -50.71 20.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.72 -41.1 12.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.462 ' HB2' HG23 ' A' ' 102' ' ' ILE . 61.0 mtt-85 -63.33 -57.57 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.856 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.507 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.8 mt -39.68 -38.71 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -61.24 -51.33 69.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -65.62 -31.6 72.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -56.7 -45.58 81.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.1 mt -78.09 -46.62 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.1 m -50.05 -25.91 3.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.51 -40.01 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.072 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.755 ' HB3' HD21 ' A' ' 95' ' ' LEU . 14.7 m-85 -112.72 76.79 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.544 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . . . -116.81 124.13 29.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 111.094 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.656 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.1 Cg_endo -69.69 116.93 4.78 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.682 2.254 . . . . 0.0 112.388 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.96 -32.09 4.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.544 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . . . -46.09 -66.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.558 HH11 HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -128.74 -25.62 2.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.558 HD22 HH11 ' A' ' 30' ' ' ARG . 1.1 pt? -124.4 -177.15 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.41 145.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.016 HD13 ' CD1' ' A' ' 38' ' ' LEU . 13.7 mt -101.35 -48.13 4.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.38 25.06 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.507 ' HB3' HD12 ' A' ' 38' ' ' LEU . 59.8 t0 -95.96 38.51 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.66 -117.23 0.62 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.729 HG13 ' OD1' ' A' ' 79' ' ' ASP . 13.7 t -37.7 -69.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.172 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.016 ' CD1' HD13 ' A' ' 33' ' ' LEU . 2.1 tm? -36.67 -50.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.49 -37.66 95.05 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.414 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' VAL . 8.6 t80 -40.36 -34.13 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.619 HD11 ' HB2' ' A' ' 79' ' ' ASP . 14.1 mt -67.84 -60.69 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -47.25 -44.24 22.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.82 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -66.23 -43.81 85.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' NE2' ' CE2' ' A' ' 40' ' ' PHE . 44.3 mt-30 -64.14 -63.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.778 HG23 HD22 ' A' ' 99' ' ' LEU . 77.1 mt -46.03 -67.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.656 HG21 ' HD3' ' A' ' 27' ' ' PRO . 14.2 t -36.49 -45.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -65.18 -41.41 94.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 45' ' ' ILE . 16.6 mt -62.67 -51.87 65.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.575 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -45.09 -51.24 10.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -47.06 -53.52 12.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.2 -51.42 18.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.6 t -47.37 -55.1 9.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.507 HD21 ' HB2' ' A' ' 18' ' ' LEU . 21.8 mt -43.81 -62.7 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.13 -36.49 8.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.722 ' HB2' HG13 ' A' ' 61' ' ' VAL . 16.8 mmtp -69.16 -64.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.0 m -43.21 -42.8 4.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.0 -37.7 54.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.415 ' HB2' HD21 ' A' ' 60' ' ' LEU . 12.1 mm-40 -105.49 0.39 26.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 68.7 46.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.437 ' N ' HD23 ' A' ' 60' ' ' LEU . 5.9 mt -95.96 -24.95 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.722 HG13 ' HB2' ' A' ' 55' ' ' LYS . 18.9 m -65.34 123.98 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.155 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' SER . 44.7 p -123.88 161.28 25.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 62' ' ' THR . 22.2 p -35.1 -51.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' TYR . 5.0 tpt85 -58.61 -57.32 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.621 ' CE2' HG12 ' A' ' 61' ' ' VAL . 61.6 t80 -35.32 -48.85 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 20.5 m-85 -69.0 -63.69 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.4 mp -35.17 -47.2 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -72.19 -51.37 21.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.539 ' HG3' HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -47.88 -49.08 30.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -53.25 -45.3 68.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -71.16 -36.27 71.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -62.54 -41.71 99.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.008 HD22 HD23 ' A' ' 99' ' ' LEU . 3.8 pp -83.46 -43.16 16.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.681 ' N ' HD12 ' A' ' 73' ' ' LEU . 17.7 mt-10 -48.87 -64.36 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -40.58 -57.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 73' ' ' LEU . 83.9 mt -39.09 -40.61 0.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.888 HD13 HG11 ' A' ' 96' ' ' VAL . 32.3 tp -35.6 -41.42 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.533 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 5.1 pp0? -43.49 -48.52 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.729 ' OD1' HG13 ' A' ' 37' ' ' VAL . 5.2 m-20 -39.61 -38.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.531 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -82.9 -57.03 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -7.95 5.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 78' ' ' GLN . 52.1 mm-40 -84.09 -62.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.645 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -106.15 -58.82 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.557 ' HB3' HG22 ' A' ' 89' ' ' VAL . 24.3 t -40.64 152.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.737 ' O ' HG23 ' A' ' 89' ' ' VAL . 8.5 t70 -97.77 157.79 15.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.0 p -40.12 -24.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 85' ' ' ASP . 2.9 mp0 -71.83 -66.34 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -63.5 -36.22 83.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 85' ' ' ASP . 21.7 t -60.29 -38.61 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.6 t -50.61 -48.55 57.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -54.61 -62.38 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.538 HD11 ' CD1' ' A' ' 33' ' ' LEU . 20.4 mm -52.53 -48.86 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 89' ' ' VAL . 49.9 t -42.67 -52.98 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -48.81 -45.35 40.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.755 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.8 mp -63.79 -72.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.888 HG11 HD13 ' A' ' 77' ' ' LEU . 6.0 p -38.58 -36.7 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -74.8 -64.51 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 101' ' ' ILE . 9.4 mttm -43.33 -51.09 6.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 1.008 HD23 HD22 ' A' ' 73' ' ' LEU . 31.0 tp -42.25 -46.14 4.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.006 HD21 HD11 ' A' ' 73' ' ' LEU . 12.2 mt -70.81 -27.18 63.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 98' ' ' LYS . 17.1 mt -77.45 -29.51 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.462 HG23 ' HB2' ' A' ' 17' ' ' ARG . 9.9 mt -81.02 -63.2 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.568 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 25.7 pt -51.27 -28.63 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.477 ' O ' ' C ' ' A' ' 105' ' ' ARG . 0.8 OUTLIER -40.38 119.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.551 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 10.2 tpp180 -31.15 -56.95 0.38 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.644 0.735 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.5 Cg_endo -69.78 -49.95 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 53.94 44.0 30.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.083 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.4 mtm-85 -81.8 146.06 30.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.2 t -68.22 -61.83 1.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -45.21 106.83 0.12 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 93.13 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.74 2.293 . . . . 0.0 112.292 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.7 t -79.54 -45.77 18.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.9 p 37.58 42.03 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 t -47.38 142.75 3.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.922 0.391 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -99.4 127.22 45.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.806 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.72 104.91 2.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.538 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.5 m -81.03 162.83 23.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.856 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p -52.46 143.35 15.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.36 93.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.516 ' HB2' ' HB2' ' A' ' 12' ' ' ALA . 53.2 Cg_endo -69.78 -163.5 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.719 2.28 . . . . 0.0 112.307 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -106.56 179.57 4.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.64 -41.96 67.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 p -49.94 -27.37 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' ' 8' ' ' PRO . . . -53.38 -60.57 3.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -58.41 -36.22 73.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' ARG . 5.6 ttt -62.83 -63.6 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.573 ' O ' HD21 ' A' ' 53' ' ' LEU . 20.5 mt-10 -38.58 -48.18 1.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.37 -38.54 62.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' MET . 73.9 mtt-85 -64.56 -57.44 9.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.855 0.359 . . . . 0.0 110.82 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mt -39.91 -40.36 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -58.02 -54.38 47.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -65.1 -32.55 74.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -54.83 -44.35 73.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.714 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.1 mt -78.02 -47.86 17.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.6 m -50.5 -26.1 4.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.39 -35.11 11.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.668 ' HB3' HD21 ' A' ' 95' ' ' LEU . 19.4 m-85 -114.3 69.31 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.404 ' HB3' ' CB ' ' A' ' 29' ' ' ALA . . . -110.76 121.87 39.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.68 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.0 Cg_endo -69.76 100.28 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.727 2.285 . . . . 0.0 112.283 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 113.46 -33.75 5.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 26' ' ' ALA . . . -46.57 -68.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 111.157 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.623 HH11 HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -125.07 -21.12 4.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.623 HD22 HH11 ' A' ' 30' ' ' ARG . 1.3 pt? -127.33 177.44 6.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.08 121.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.889 HD13 HD11 ' A' ' 38' ' ' LEU . 69.5 mt -88.23 85.95 7.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.2 -37.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 33' ' ' LEU . 9.4 m-20 -43.67 149.07 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' VAL . . . -86.23 -95.44 0.82 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.711 HG13 ' OD1' ' A' ' 79' ' ' ASP . 4.8 t -37.56 -64.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 111.133 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.889 HD11 HD13 ' A' ' 33' ' ' LEU . 1.5 tm? -35.7 -58.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.645 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -56.1 -35.43 64.51 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.547 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 37' ' ' VAL . 6.1 t80 -40.74 -26.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.328 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.546 HD11 ' N ' ' A' ' 80' ' ' ALA . 10.1 mt -79.34 -55.17 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.693 ' O ' HG23 ' A' ' 46' ' ' VAL . 21.0 t-160 -49.57 -50.07 43.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -62.29 -49.34 76.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.415 ' OE1' HD22 ' A' ' 76' ' ' LEU . 66.2 mt-30 -56.73 -64.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.653 HG23 HD22 ' A' ' 99' ' ' LEU . 96.0 mt -48.23 -59.27 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 42' ' ' HIS . 55.4 t -41.76 -35.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -75.23 -40.37 59.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.2 mt -60.45 -46.94 88.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.714 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -49.1 -52.86 23.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -47.26 -52.86 14.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -46.61 -48.22 19.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 55' ' ' LYS . 4.1 t -51.12 -62.58 1.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.573 HD21 ' O ' ' A' ' 15' ' ' GLU . 18.3 mt -36.48 -59.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.92 -38.56 61.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.713 ' CB ' HG13 ' A' ' 61' ' ' VAL . 21.3 mmtm -64.83 -60.86 2.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.0 m -49.38 -42.24 41.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.26 -37.41 59.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -107.22 10.14 29.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.4 ' C ' HD23 ' A' ' 60' ' ' LEU . 5.0 m120 60.37 52.69 4.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.531 ' O ' HG23 ' A' ' 62' ' ' THR . 7.0 mt -103.41 -27.84 12.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.872 HG12 ' CE2' ' A' ' 65' ' ' TYR . 18.1 m -61.58 108.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 60' ' ' LEU . 35.2 p -115.54 164.37 14.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 62' ' ' THR . 14.4 t -34.45 -62.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -49.02 -49.1 42.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.872 ' CE2' HG12 ' A' ' 61' ' ' VAL . 35.7 t80 -43.49 -58.43 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.576 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.8 m-85 -63.79 -60.81 2.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' PHE . 14.1 mt -37.56 -53.33 1.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.48 -37.71 74.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -58.48 -37.98 76.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -69.68 -44.59 70.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -71.4 -26.59 62.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -72.97 -38.82 66.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.983 HD22 HD23 ' A' ' 99' ' ' LEU . 3.8 pp -86.44 -46.65 10.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.725 ' N ' HD12 ' A' ' 73' ' ' LEU . 16.4 mt-10 -44.04 -61.11 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -44.23 -53.96 6.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 77' ' ' LEU . 85.8 mt -42.19 -40.39 2.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.78 HD13 HG11 ' A' ' 96' ' ' VAL . 30.9 tp -35.97 -35.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.522 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.5 pp0? -49.24 -49.69 42.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.711 ' OD1' HG13 ' A' ' 37' ' ' VAL . 9.0 m-20 -41.02 -34.77 0.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.837 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.562 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -84.97 -59.7 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.461 ' HE1' HD11 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -60.82 -8.9 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' GLN . 11.1 mm-40 -82.84 -68.18 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.63 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -101.02 -51.7 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.729 ' HB3' HG22 ' A' ' 89' ' ' VAL . 4.7 t -45.94 152.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.76 ' O ' HG23 ' A' ' 89' ' ' VAL . 27.1 t0 -99.65 154.29 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.486 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 16.2 m -38.59 -26.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 85' ' ' ASP . 28.4 tt0 -69.39 -66.05 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.55 -37.52 87.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 85' ' ' ASP . 17.9 t -58.3 -35.99 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.5 t -53.64 -47.81 69.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.579 ' CE2' HD11 ' A' ' 31' ' ' LEU . 31.2 t80 -55.16 -59.84 4.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.511 HD11 ' CD1' ' A' ' 33' ' ' LEU . 18.9 mm -56.09 -53.38 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.527 HG23 HG12 ' A' ' 89' ' ' VAL . 12.6 t -37.8 -46.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -53.84 -46.41 71.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.668 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.5 mp -62.83 -72.49 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.78 HG11 HD13 ' A' ' 77' ' ' LEU . 5.3 p -36.36 -36.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -76.07 -66.69 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 101' ' ' ILE . 8.7 mttm -41.77 -49.86 4.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.983 HD23 HD22 ' A' ' 73' ' ' LEU . 18.6 tp -42.51 -47.61 5.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.808 HD21 HD11 ' A' ' 73' ' ' LEU . 10.8 mt -69.58 -25.38 63.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 98' ' ' LYS . 6.7 mt -82.26 -18.99 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.8 mt -92.93 -63.17 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.576 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 28.9 pt -48.6 -26.29 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.9 m -62.47 112.53 2.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.638 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 4.7 ttt85 -48.94 -51.94 50.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.586 0.708 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.4 Cg_endo -69.83 168.95 20.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.697 2.264 . . . . 0.0 112.305 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -172.37 161.07 5.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -125.26 80.95 1.92 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.2 t -75.84 131.34 39.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 146.16 -169.97 27.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.67 5.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.677 2.251 . . . . 0.0 112.361 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.2 t -89.06 119.29 29.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 t -76.41 162.32 27.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -79.26 114.03 17.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t -121.93 -55.47 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.25 -103.49 2.17 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 m -83.35 -49.86 8.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.934 0.397 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 t 46.46 38.65 5.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.05 146.78 16.42 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 135.14 29.87 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.3 -32.04 6.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.35 -69.16 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.144 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.606 HG22 ' HB3' ' A' ' 14' ' ' MET . 2.7 m -112.04 77.14 1.02 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.64 -58.97 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -38.23 -63.06 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.606 ' HB3' HG22 ' A' ' 11' ' ' THR . 0.5 OUTLIER -39.54 -63.44 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' CG ' ' HB3' ' A' ' 56' ' ' SER . 20.5 mt-10 -37.38 -60.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.47 -40.91 3.9 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.431 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 18' ' ' LEU . 59.6 mtt-85 -64.12 -60.77 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.87 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.579 HD12 ' SD ' ' A' ' 14' ' ' MET . 9.5 mt -36.14 -38.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -60.52 -51.91 67.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 17' ' ' ARG . 8.9 tt0 -62.87 -30.1 71.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -61.04 -45.21 95.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.566 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.5 mt -75.94 -42.25 49.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.1 m -55.43 -22.28 19.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.55 -35.63 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.765 ' HB3' HD21 ' A' ' 95' ' ' LEU . 17.6 m-85 -118.2 92.54 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.76 129.85 23.48 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.789 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.7 Cg_endo -69.74 149.07 66.51 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.711 2.274 . . . . 0.0 112.314 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.83 -48.39 1.97 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.535 ' O ' ' N ' ' A' ' 31' ' ' LEU . . . -57.58 -170.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.743 0.306 . . . . 0.0 111.108 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.497 ' HD3' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -31.21 -35.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.634 HD11 ' CE2' ' A' ' 91' ' ' PHE . 5.3 tp -95.71 133.88 39.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -173.71 139.74 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.772 HD13 HD11 ' A' ' 38' ' ' LEU . 9.4 mt -118.48 109.46 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.05 -48.6 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.447 ' CG ' ' HB3' ' A' ' 38' ' ' LEU . 22.2 t0 -38.73 126.59 1.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.24 -82.27 0.2 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.453 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.689 HG13 ' OD1' ' A' ' 79' ' ' ASP . 9.6 t -42.44 -64.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 111.108 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.772 HD11 HD13 ' A' ' 33' ' ' LEU . 2.2 tm? -35.95 -53.25 0.76 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.77 -37.87 93.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.613 ' CE2' ' NE2' ' A' ' 44' ' ' GLN . 22.7 t80 -40.03 -29.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 110.878 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.611 HD11 ' HB2' ' A' ' 79' ' ' ASP . 8.1 mt -74.94 -53.94 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.414 ' HE1' ' C ' ' A' ' 25' ' ' TYR . 4.4 t60 -51.67 -43.66 62.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -68.39 -43.07 78.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.613 ' NE2' ' CE2' ' A' ' 40' ' ' PHE . 61.8 mt-30 -65.03 -64.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.651 HG23 HD22 ' A' ' 99' ' ' LEU . 89.1 mt -45.56 -59.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.789 HG21 ' HD3' ' A' ' 27' ' ' PRO . 15.1 t -43.69 -41.23 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.71 -44.77 76.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.2 mt -60.64 -34.82 74.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.566 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -60.48 -49.45 77.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -50.83 -50.02 57.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -51.31 -47.92 62.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.8 t -50.59 -48.14 57.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.431 HD21 ' HB2' ' A' ' 18' ' ' LEU . 20.4 mt -50.8 -62.62 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.19 -34.77 6.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.664 ' HB2' HG13 ' A' ' 61' ' ' VAL . 17.4 mmtp -69.24 -56.59 7.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.472 ' HB3' ' CG ' ' A' ' 15' ' ' GLU . 3.5 m -50.11 -41.55 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.435 ' N ' ' OE2' ' A' ' 15' ' ' GLU . . . -55.53 -41.2 80.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.497 ' HB2' HD21 ' A' ' 60' ' ' LEU . 3.3 mt-10 -99.13 -2.29 37.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 110.883 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.42 ' C ' HD23 ' A' ' 60' ' ' LEU . 19.3 t-20 69.42 50.17 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 58' ' ' GLU . 5.0 mt -99.47 -22.42 15.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.842 HG12 ' CE2' ' A' ' 65' ' ' TYR . 28.7 m -68.29 116.59 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 63' ' ' SER . 73.6 p -122.31 164.7 17.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.147 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 62' ' ' THR . 44.3 t -34.91 -51.83 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 65' ' ' TYR . 9.9 tpt180 -60.26 -57.39 12.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.842 ' CE2' HG12 ' A' ' 61' ' ' VAL . 29.0 t80 -35.9 -56.07 0.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.47 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 22.7 m-85 -59.88 -59.23 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PHE . 3.5 mt -37.3 -60.83 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -57.04 -50.83 71.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.538 ' HG3' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -49.55 -34.91 18.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.407 ' CG ' HD22 ' A' ' 100' ' ' LEU . 21.4 mt-30 -70.02 -45.79 66.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -70.04 -27.09 64.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -75.2 -38.66 60.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.807 HD22 HD23 ' A' ' 99' ' ' LEU . 4.3 pp -84.84 -34.3 22.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.578 ' N ' HD12 ' A' ' 73' ' ' LEU . 12.3 mt-10 -58.92 -56.96 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -48.75 -55.13 12.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 77' ' ' LEU . 95.7 mt -41.94 -39.97 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.757 HD13 HG11 ' A' ' 96' ' ' VAL . 32.3 tp -36.28 -39.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.541 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 5.2 pp0? -44.34 -48.2 9.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.689 ' OD1' HG13 ' A' ' 37' ' ' VAL . 5.4 m-20 -39.7 -39.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.559 ' HB1' HG13 ' A' ' 89' ' ' VAL . . . -84.43 -55.89 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.105 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.682 ' CE1' HD21 ' A' ' 77' ' ' LEU . 10.8 m170 -60.45 -9.43 3.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 78' ' ' GLN . 12.2 mt-10 -86.29 -63.04 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.583 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -101.2 -65.64 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.8 ' HB3' HG22 ' A' ' 89' ' ' VAL . 8.8 t -35.67 148.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.658 ' O ' HG23 ' A' ' 89' ' ' VAL . 10.7 m-20 -95.47 152.47 18.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 85' ' ' ASP . 13.6 t -32.48 -35.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -64.83 -66.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.429 ' CB ' ' OG ' ' A' ' 84' ' ' SER . 17.1 mp0 -59.86 -38.74 83.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.8 HG22 ' HB3' ' A' ' 84' ' ' SER . 6.5 t -64.38 -35.86 75.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.6 m -55.81 -25.95 44.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.634 ' CE2' HD11 ' A' ' 31' ' ' LEU . 78.8 t80 -76.1 -54.02 7.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.6 mm -62.31 -48.64 87.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.532 HG23 HG12 ' A' ' 89' ' ' VAL . 10.7 t -39.86 -41.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -57.96 -45.59 86.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.765 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.6 mp -61.88 -68.85 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.757 HG11 HD13 ' A' ' 77' ' ' LEU . 7.6 p -41.22 -36.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -73.58 -61.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 101' ' ' ILE . 12.5 mttm -45.07 -53.61 7.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.807 HD23 HD22 ' A' ' 73' ' ' LEU . 19.6 tp -40.78 -41.26 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.75 HD21 HD11 ' A' ' 73' ' ' LEU . 34.6 mt -73.59 -31.23 63.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.49 ' N ' ' O ' ' A' ' 98' ' ' LYS . 8.6 mt -77.95 -20.78 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.5 mt -90.49 -58.4 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.669 HG23 ' O ' ' A' ' 99' ' ' LEU . 12.4 pt -57.25 -29.08 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.6 m -60.92 109.93 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.641 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 6.3 ttm180 -44.48 -52.12 18.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.598 0.713 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.641 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 54.5 Cg_endo -69.72 168.09 22.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.717 2.278 . . . . 0.0 112.381 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -171.59 165.59 6.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -127.89 -55.17 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.1 m 60.54 39.88 17.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -94.76 -157.92 32.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.524 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 90.29 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.7 t -113.08 123.9 51.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.1 t -76.98 -54.18 6.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -106.14 -57.23 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 0.0 110.828 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.8 p -44.15 138.85 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.832 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.59 148.42 0.64 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -146.45 141.72 27.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.826 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.57 109.44 7.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.45 174.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.652 ' HB2' ' HB2' ' A' ' 12' ' ' ALA . 53.5 Cg_endo -69.81 -167.77 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -86.12 -179.85 6.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.6 -37.63 82.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.054 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.754 HG22 ' HB3' ' A' ' 14' ' ' MET . 13.3 m -96.91 30.16 2.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.195 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.652 ' HB2' ' HB2' ' A' ' 8' ' ' PRO . . . -58.46 -61.73 2.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' ALA . 39.6 tt0 -37.73 -56.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.754 ' HB3' HG22 ' A' ' 11' ' ' THR . 6.0 ttt -46.25 -61.24 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' MET . 43.4 mt-10 -38.31 -59.31 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -40.78 -37.35 1.3 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -67.69 -60.73 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.825 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.568 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.2 mt -40.43 -33.08 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -64.08 -49.61 71.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -64.75 -30.05 71.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -60.58 -49.29 78.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.697 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.7 mt -72.8 -43.58 62.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.44 ' O ' ' NH2' ' A' ' 30' ' ' ARG . 90.0 m -56.26 -21.6 24.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.35 -28.32 12.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.606 ' HB3' HD21 ' A' ' 95' ' ' LEU . 20.9 m-85 -122.48 87.5 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.19 127.68 21.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 111.076 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.569 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.7 Cg_endo -69.76 135.34 30.19 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.21 -48.69 2.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.63 -51.62 27.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.44 ' NH2' ' O ' ' A' ' 23' ' ' THR . 2.5 mtt-85 -115.79 -70.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.992 HD11 ' CZ ' ' A' ' 91' ' ' PHE . 2.5 pt? -119.23 176.81 5.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.92 146.01 10.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.915 HD13 HD11 ' A' ' 38' ' ' LEU . 21.3 mt -107.12 120.48 42.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.87 19.8 5.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.048 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.484 ' OD2' ' CB ' ' A' ' 38' ' ' LEU . 39.1 t0 -77.21 -4.11 43.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 37' ' ' VAL . . . 75.22 -116.02 4.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.438 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.517 HG13 ' CG ' ' A' ' 79' ' ' ASP . 2.3 t -36.81 -59.38 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 111.096 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.915 HD11 HD13 ' A' ' 33' ' ' LEU . 1.7 tm? -45.08 -42.77 8.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.15 -29.12 72.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -54.63 -24.43 21.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.615 HD11 ' CB ' ' A' ' 79' ' ' ASP . 7.1 mt -75.23 -49.96 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -53.66 -49.65 67.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -60.73 -44.17 96.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.414 ' OE1' HD22 ' A' ' 76' ' ' LEU . 52.6 mt-30 -62.13 -58.92 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.538 HG23 HD22 ' A' ' 99' ' ' LEU . 63.7 mt -52.58 -61.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.569 HG21 ' HD3' ' A' ' 27' ' ' PRO . 22.0 t -41.33 -35.35 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.29 -36.95 53.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.5 mt -64.64 -45.43 86.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.697 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -51.95 -47.22 64.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.072 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 43.1 mtp85 -50.17 -50.52 48.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -49.17 -46.87 46.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.5 t -52.19 -49.35 64.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.568 HD21 ' HB2' ' A' ' 18' ' ' LEU . 35.5 mt -54.06 -56.45 17.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.7 -37.52 63.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.734 ' CB ' HG13 ' A' ' 61' ' ' VAL . 26.0 mmtm -66.62 -62.73 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.2 t -49.52 -42.77 44.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -52.43 -24.44 16.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -119.83 -0.61 10.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 t30 73.57 39.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 mt -90.97 -24.47 20.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.734 HG13 ' CB ' ' A' ' 55' ' ' LYS . 21.0 m -68.35 121.68 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.145 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 63' ' ' SER . 62.1 p -120.25 156.73 30.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.686 ' O ' HD23 ' A' ' 67' ' ' LEU . 32.0 t -36.19 -44.02 0.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 65' ' ' TYR . 11.5 tpp180 -68.72 -51.86 36.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.581 ' CE2' HG12 ' A' ' 61' ' ' VAL . 86.3 t80 -35.54 -53.89 0.68 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 69' ' ' MET . 23.5 m-85 -61.09 -60.05 4.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 63' ' ' SER . 3.5 mm? -34.32 -54.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -66.18 -37.53 85.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 66' ' ' PHE . 19.8 ttt -63.28 -33.54 75.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -68.57 -32.91 73.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -84.26 -26.74 28.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -73.48 -29.05 62.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.835 HD11 HD21 ' A' ' 100' ' ' LEU . 4.0 pp -94.39 -42.24 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.967 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.689 ' N ' HD12 ' A' ' 73' ' ' LEU . 17.1 mt-10 -55.27 -57.1 13.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -45.68 -55.34 6.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.504 ' HB3' HG23 ' A' ' 41' ' ' ILE . 95.9 mt -42.58 -41.42 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.803 HD13 HG11 ' A' ' 96' ' ' VAL . 26.4 tp -35.78 -35.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.474 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.2 pp0? -47.49 -52.14 18.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.615 ' CB ' HD11 ' A' ' 41' ' ' ILE . 9.9 m-20 -43.51 -29.53 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.591 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -88.75 -55.42 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.083 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.502 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 13.1 m170 -62.65 -7.78 5.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -86.0 -61.48 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.485 ' O ' ' C ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -102.16 -73.39 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.853 ' OG ' HG22 ' A' ' 89' ' ' VAL . 5.1 p -31.11 144.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.813 ' O ' HG23 ' A' ' 89' ' ' VAL . 0.6 OUTLIER -94.69 158.43 15.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 85' ' ' ASP . 40.8 t -36.24 -28.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 85' ' ' ASP . 3.0 tp10 -71.16 -60.73 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -65.54 -29.26 69.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.9 HG12 HG23 ' A' ' 93' ' ' VAL . 15.7 t -65.17 -48.43 83.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.161 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 89' ' ' VAL . 8.6 t -36.93 -48.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.992 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 10.2 t80 -52.58 -66.98 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 93' ' ' VAL . 5.4 mm -54.7 -57.97 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.9 HG23 HG12 ' A' ' 89' ' ' VAL . 7.7 t -35.79 -51.05 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.062 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -51.43 -47.19 63.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.606 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.1 mp -63.7 -70.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.803 HG11 HD13 ' A' ' 77' ' ' LEU . 3.0 p -36.1 -37.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.617 HH11 HD11 ' A' ' 101' ' ' ILE . 7.7 ttm-85 -77.85 -61.79 1.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 101' ' ' ILE . 27.4 mttp -44.07 -48.89 8.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.702 HD23 HD22 ' A' ' 73' ' ' LEU . 13.4 tp -45.02 -44.99 10.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.835 HD21 HD11 ' A' ' 73' ' ' LEU . 10.2 mt -71.17 -24.2 62.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.617 HD11 HH11 ' A' ' 97' ' ' ARG . 10.0 mt -80.67 -19.25 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.6 mt -93.87 -63.05 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.554 HG23 ' O ' ' A' ' 99' ' ' LEU . 6.2 pt -50.35 -30.8 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.161 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.0 m -50.58 110.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.637 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 2.2 tmt_? -49.08 -52.49 47.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.637 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.3 Cg_endo -69.77 83.21 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -147.33 145.71 29.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -146.04 113.12 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.4 t -48.71 -60.03 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.46 95.0 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 0.82 5.09 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.2 m -115.76 144.6 43.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.5 m -96.53 -50.18 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 m -139.94 131.74 27.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.866 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 t -151.33 169.86 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.81 84.34 0.14 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 6' ' ' SER . 35.5 p -57.26 -50.79 71.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.866 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 5' ' ' SER . 78.6 p 35.59 42.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.856 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.75 124.17 4.1 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 116.93 4.79 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.661 2.241 . . . . 0.0 112.316 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -103.55 45.61 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -167.61 116.33 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 47.9 46.8 18.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.28 -56.11 3.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -41.16 -58.52 1.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.8 ttp -42.04 -55.58 3.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -44.64 -57.39 3.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.59 -40.52 11.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -63.35 -55.74 22.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.565 ' HG ' HG21 ' A' ' 102' ' ' ILE . 3.9 mt -46.89 -32.34 3.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -63.9 -56.85 12.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -59.72 -31.47 69.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -55.98 -46.77 78.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.513 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.7 mt -75.31 -46.35 33.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.0 m -52.21 -23.29 5.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.46 -30.68 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.665 ' HB3' HD21 ' A' ' 95' ' ' LEU . 19.2 m-85 -123.09 100.65 6.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -149.17 138.22 12.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.554 0.692 . . . . 0.0 111.102 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.7 Cg_endo -69.74 128.48 16.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 29' ' ' ALA . . . 75.54 -58.73 2.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.922 ' HB1' ' NH1' ' A' ' 30' ' ' ARG . . . -34.86 -63.51 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.781 0.324 . . . . 0.0 111.077 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.922 ' NH1' ' HB1' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -100.37 -64.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.877 ' H ' HD23 ' A' ' 31' ' ' LEU . 2.0 pt? -121.72 -176.96 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.03 130.9 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.83 HD13 HD11 ' A' ' 38' ' ' LEU . 33.8 mt -100.78 96.68 7.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.54 -26.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 33' ' ' LEU . 7.8 t0 -55.09 136.97 47.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.827 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.17 -83.51 0.58 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.453 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.733 HG13 ' OD1' ' A' ' 79' ' ' ASP . 4.5 t -46.09 -61.05 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 111.107 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.83 HD11 HD13 ' A' ' 33' ' ' LEU . 2.3 tm? -39.96 -47.39 2.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' ILE . . . -64.48 -39.63 97.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.543 ' CE2' ' NE2' ' A' ' 44' ' ' GLN . 40.5 t80 -40.6 -24.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.626 HD11 ' CB ' ' A' ' 79' ' ' ASP . 6.4 mt -81.44 -49.78 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -55.79 -47.88 76.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -62.47 -46.33 88.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.543 ' NE2' ' CE2' ' A' ' 40' ' ' PHE . 64.4 mt-30 -59.36 -66.78 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.553 HG23 HD22 ' A' ' 99' ' ' LEU . 96.6 mt -45.26 -67.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.413 HG21 ' HD3' ' A' ' 27' ' ' PRO . 17.5 t -37.21 -38.85 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -74.01 -39.99 63.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 45' ' ' ILE . 13.2 mt -61.92 -52.36 64.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.513 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -43.16 -47.02 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.058 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.4 mtp85 -48.05 -51.0 26.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.08 -48.91 43.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 t -51.23 -47.77 62.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.4 mt -53.22 -59.54 4.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.04 -35.77 59.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.733 ' CB ' HG13 ' A' ' 61' ' ' VAL . 25.6 mmtm -69.63 -67.37 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.3 t -44.69 -40.22 5.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.05 -35.23 53.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.448 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -111.08 8.43 21.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.32 46.22 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mt -96.86 -21.06 17.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.733 HG13 ' CB ' ' A' ' 55' ' ' LYS . 26.5 m -73.75 128.12 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' SER . 43.8 p -129.34 165.87 20.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.413 ' O ' HD12 ' A' ' 67' ' ' LEU . 13.2 t -36.72 -58.61 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 65' ' ' TYR . 7.9 tpt180 -53.61 -56.89 13.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.658 ' CE2' HG12 ' A' ' 61' ' ' VAL . 85.1 t80 -35.01 -52.2 0.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.489 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 23.6 m-85 -67.86 -61.04 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.6 mp -34.75 -49.67 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -72.59 -52.87 13.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.6 ttt -44.71 -41.32 6.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -61.53 -45.84 92.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -72.52 -26.43 61.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -73.36 -35.83 66.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.05 HD22 HD23 ' A' ' 99' ' ' LEU . 4.3 pp -90.41 -36.98 14.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.701 ' N ' HD12 ' A' ' 73' ' ' LEU . 13.7 mt-10 -56.52 -61.37 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -41.81 -52.4 4.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.493 HD22 ' OE1' ' A' ' 44' ' ' GLN . 71.0 mt -43.48 -43.69 5.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.879 HD13 HG11 ' A' ' 96' ' ' VAL . 17.4 tp -36.14 -34.3 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.534 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 5.0 pp0? -48.13 -51.17 25.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.733 ' OD1' HG13 ' A' ' 37' ' ' VAL . 4.8 m-20 -40.44 -38.7 0.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.579 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -78.66 -58.79 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -61.34 -8.18 3.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' GLN . 2.8 mm-40 -85.6 -54.28 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.635 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -112.8 -63.59 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 83' ' ' ARG . 23.1 t -37.18 155.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.841 ' O ' HG23 ' A' ' 89' ' ' VAL . 23.7 m-20 -102.85 152.48 21.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.7 p -38.59 -26.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 85' ' ' ASP . 7.4 pt-20 -69.32 -56.91 6.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.464 ' OE1' ' CD2' ' A' ' 33' ' ' LEU . 17.9 mm-40 -73.48 -30.45 63.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.869 HG12 HG23 ' A' ' 93' ' ' VAL . 16.2 t -59.25 -48.22 87.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 89' ' ' VAL . 18.5 t -37.21 -50.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.804 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.83 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 21.9 t80 -52.57 -67.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 93' ' ' VAL . 4.7 mm -52.83 -57.09 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.869 HG23 HG12 ' A' ' 89' ' ' VAL . 4.1 t -36.18 -49.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -53.42 -48.17 68.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.665 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.5 mp -59.17 -69.2 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.879 HG11 HD13 ' A' ' 77' ' ' LEU . 2.7 p -39.54 -38.44 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.634 ' HE ' HD11 ' A' ' 101' ' ' ILE . 4.7 ttt180 -73.07 -66.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 101' ' ' ILE . 12.9 mttm -40.18 -54.47 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 1.05 HD23 HD22 ' A' ' 73' ' ' LEU . 14.9 tp -40.09 -45.43 1.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.798 HD21 HD11 ' A' ' 73' ' ' LEU . 10.8 mt -71.0 -32.4 69.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.634 HD11 ' HE ' ' A' ' 97' ' ' ARG . 3.0 mt -73.94 -23.44 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.565 HG21 ' HG ' ' A' ' 18' ' ' LEU . 12.8 mt -87.89 -60.85 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.655 HG23 ' O ' ' A' ' 99' ' ' LEU . 6.2 pt -53.59 -27.55 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.426 ' C ' ' HD2' ' A' ' 106' ' ' PRO . 60.9 p -50.09 113.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.641 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 1.6 tmt_? -40.04 -52.44 5.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.559 0.695 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.641 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 54.2 Cg_endo -69.72 114.63 3.76 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -170.86 122.51 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.0 mmt-85 -124.67 176.49 6.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.9 t -99.03 -50.61 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.43 73.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 97.28 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.744 2.296 . . . . 0.0 112.302 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.8 m -110.13 121.01 44.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 51.0 p -69.01 -49.45 57.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.829 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -157.46 140.33 15.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m -113.28 112.03 23.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.16 -115.04 4.22 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -161.56 112.19 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.847 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -59.13 169.25 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.814 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.88 132.45 11.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 105.54 1.5 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -88.73 -53.86 4.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.95 -21.61 13.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 p -78.21 -26.35 47.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -47.79 -70.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.457 ' CG ' ' N ' ' A' ' 14' ' ' MET . 9.4 pt20 -50.71 -46.86 59.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.457 ' N ' ' CG ' ' A' ' 13' ' ' GLN . 4.8 ttt -49.76 -56.97 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -46.48 -48.56 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.05 -29.44 35.64 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HB2' HG23 ' A' ' 102' ' ' ILE . 70.5 mtp180 -72.43 -61.27 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.526 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.4 mt -37.49 -34.93 0.11 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -62.86 -55.69 24.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -61.61 -31.57 71.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -56.47 -47.25 79.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.583 HD13 ' HD3' ' A' ' 50' ' ' ARG . 1.4 mt -75.83 -47.12 26.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.5 m -49.75 -23.25 1.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.81 -32.9 10.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.64 ' HB3' HD21 ' A' ' 95' ' ' LEU . 17.4 m-85 -113.66 71.56 0.75 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.431 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . . . -115.3 120.5 36.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 111.114 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.446 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.1 Cg_endo -69.8 122.53 9.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.29 -31.19 4.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . . . -51.13 -68.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 0.0 111.07 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -125.4 -23.51 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' N ' ' HD3' ' A' ' 30' ' ' ARG . 1.2 pt? -128.2 -179.96 5.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.14 142.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.711 HD13 ' CD1' ' A' ' 38' ' ' LEU . 25.9 mt -104.92 111.97 24.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.43 -17.98 64.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 36' ' ' GLY . 8.1 t70 -47.04 169.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 35' ' ' ASP . . . -86.19 -121.27 1.24 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.499 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.495 HG12 ' HG3' ' A' ' 83' ' ' ARG . 0.4 OUTLIER -44.18 -38.35 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 111.12 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.735 ' C ' HD13 ' A' ' 38' ' ' LEU . 2.4 tm? -37.1 -54.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.78 -36.53 55.3 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 37' ' ' VAL . 4.9 t80 -45.34 -31.59 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.718 HD11 ' HB2' ' A' ' 79' ' ' ASP . 12.2 mt -74.5 -57.12 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -48.14 -48.99 33.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -63.26 -47.55 81.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.44 ' OE1' HD22 ' A' ' 76' ' ' LEU . 61.0 mt-30 -57.12 -60.25 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.638 HG23 HD22 ' A' ' 99' ' ' LEU . 84.5 mt -50.83 -64.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.446 HG21 ' HD3' ' A' ' 27' ' ' PRO . 25.2 t -40.73 -41.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -68.91 -42.42 76.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.7 mt -60.75 -55.15 36.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.966 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.535 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -40.2 -49.17 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.583 ' HD3' HD13 ' A' ' 22' ' ' LEU . 32.0 mmm-85 -47.84 -51.47 22.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.76 -43.94 38.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.9 t -51.52 -62.35 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.526 HD21 ' HB2' ' A' ' 18' ' ' LEU . 21.3 mt -43.82 -58.9 2.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.52 -26.6 5.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.157 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.662 ' CB ' HG13 ' A' ' 61' ' ' VAL . 25.1 mmtm -84.44 -61.55 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.7 t -48.23 -34.89 10.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.48 -35.76 89.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -108.03 5.54 26.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.405 ' C ' HD23 ' A' ' 60' ' ' LEU . 2.7 t-20 66.82 47.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.459 ' N ' HD23 ' A' ' 60' ' ' LEU . 5.6 mt -100.17 -12.5 19.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.662 HG13 ' CB ' ' A' ' 55' ' ' LYS . 35.5 m -82.67 122.47 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 63' ' ' SER . 68.0 p -123.39 162.87 21.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 62' ' ' THR . 4.5 t -34.64 -57.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' TYR . 17.3 tpp180 -54.1 -55.96 22.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.573 ' CE2' HG12 ' A' ' 61' ' ' VAL . 76.3 t80 -35.36 -61.65 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.473 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 23.2 m-85 -56.48 -64.09 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.6 mp -34.47 -53.57 0.52 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.41 -40.85 89.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 66' ' ' PHE . 13.7 ttt -57.84 -43.82 86.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -59.74 -63.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -52.18 -30.05 25.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -68.64 -59.35 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.858 HD11 HD21 ' A' ' 100' ' ' LEU . 2.2 pp -66.78 -53.96 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.751 ' N ' HD12 ' A' ' 73' ' ' LEU . 26.5 mt-10 -43.06 -57.27 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -43.88 -54.81 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.44 HD22 ' OE1' ' A' ' 44' ' ' GLN . 71.7 mt -40.76 -39.14 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.676 HD13 HG11 ' A' ' 96' ' ' VAL . 34.4 tp -35.88 -37.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.08 -48.96 16.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.718 ' HB2' HD11 ' A' ' 41' ' ' ILE . 8.7 m-20 -45.26 -40.84 7.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.486 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -77.94 -55.75 5.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.642 ' CE1' HD21 ' A' ' 77' ' ' LEU . 13.7 m170 -60.7 -9.18 3.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -87.55 -67.81 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.495 ' HG3' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -95.28 -68.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 83' ' ' ARG . 41.1 t -33.15 141.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' GLU . 19.0 t70 -89.17 152.86 21.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 85' ' ' ASP . 87.1 p -36.36 -30.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ASP . 4.4 tm-20 -65.09 -60.46 3.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -68.47 -42.72 78.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.499 HG12 HG23 ' A' ' 93' ' ' VAL . 58.6 t -53.21 -47.22 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -42.89 -42.68 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -59.9 -68.89 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.0 mm -47.74 -49.41 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.499 HG23 HG12 ' A' ' 89' ' ' VAL . 10.2 t -41.46 -47.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -53.6 -46.17 70.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.64 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.3 mp -63.34 -70.34 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.676 HG11 HD13 ' A' ' 77' ' ' LEU . 5.6 p -36.14 -37.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -77.22 -61.07 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 101' ' ' ILE . 27.5 mttp -45.38 -52.22 10.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.81 HD23 HD22 ' A' ' 73' ' ' LEU . 14.8 tp -44.89 -36.5 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.858 HD21 HD11 ' A' ' 73' ' ' LEU . 16.6 mt -78.02 -27.51 48.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' LYS . 12.3 mt -79.65 -16.63 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.433 HG21 ' HG ' ' A' ' 18' ' ' LEU . 9.5 mt -95.99 -62.69 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.671 HG23 ' O ' ' A' ' 99' ' ' LEU . 16.0 pt -48.75 -29.7 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 m -53.0 113.39 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.634 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -52.38 -52.1 66.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.601 0.715 . . . . 0.0 110.909 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 54.0 Cg_endo -69.77 136.95 34.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 0.0 112.363 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -174.29 156.42 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.4 mmm-85 -148.8 158.27 44.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.3 m -110.61 129.22 55.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 167.7 146.68 5.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 96.0 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.9 t -47.39 107.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.8 p -61.68 153.2 28.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.9 ttp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.729 0.3 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -45.37 -58.23 3.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.99 -37.03 0.93 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.569 ' HB2' HG23 ' A' ' 102' ' ' ILE . 42.8 mtp85 -64.49 -60.69 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.854 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.647 ' HG ' HG21 ' A' ' 102' ' ' ILE . 3.1 mt -44.51 -31.92 1.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -63.95 -47.73 79.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -68.53 -28.75 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -57.81 -47.6 82.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.638 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.5 mt -74.98 -43.97 50.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.9 m -54.27 -22.28 11.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.75 -28.89 12.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.652 ' HB3' HD21 ' A' ' 95' ' ' LEU . 21.2 m-85 -123.75 92.84 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.63 125.17 22.21 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.572 0.701 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.596 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.777 HG11 ' HD3' ' A' ' 83' ' ' ARG . 5.0 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.881 0.372 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.836 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.6 tm? -37.22 -47.06 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 41' ' ' ILE . . . -62.32 -36.41 93.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 37' ' ' VAL . 14.4 t80 -45.39 -21.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.595 HD11 ' HB2' ' A' ' 79' ' ' ASP . 6.2 mt -82.63 -49.33 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.482 ' O ' HG23 ' A' ' 46' ' ' VAL . 15.9 t-160 -56.83 -41.24 77.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -69.51 -44.4 71.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.797 HE22 HD22 ' A' ' 76' ' ' LEU . 17.6 mt-30 -63.0 -64.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.571 HG23 HD22 ' A' ' 99' ' ' LEU . 83.8 mt -47.07 -65.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.596 HG21 ' HD3' ' A' ' 27' ' ' PRO . 39.1 t -37.28 -41.5 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -71.04 -42.69 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' ILE . 13.0 mt -58.62 -39.86 81.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.638 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -55.52 -52.54 63.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -44.36 -47.91 9.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.74 -49.77 64.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.1 t -49.51 -51.75 34.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.1 mt -50.62 -59.63 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.32 -32.74 50.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.716 ' CB ' HG13 ' A' ' 61' ' ' VAL . 43.6 mmtt -71.01 -66.14 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.4 m -46.01 -40.66 10.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.0 -34.72 52.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -111.85 9.97 20.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 63.94 44.28 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.425 HD23 ' N ' ' A' ' 60' ' ' LEU . 5.3 mt -93.93 -20.83 19.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.716 HG13 ' CB ' ' A' ' 55' ' ' LYS . 32.5 m -75.15 128.27 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.6 p -131.56 174.21 10.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -44.33 -59.69 2.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 65' ' ' TYR . 8.7 tpp180 -52.85 -54.1 39.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.479 ' CE2' HG12 ' A' ' 61' ' ' VAL . 55.5 t80 -36.15 -59.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.426 ' O ' ' C ' ' A' ' 67' ' ' LEU . 21.2 m-85 -61.66 -61.95 2.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.5 mp -35.19 -49.42 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -75.36 -40.61 57.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.404 ' O ' HD23 ' A' ' 73' ' ' LEU . 18.3 ttt -59.44 -27.3 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -73.36 -45.67 53.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -72.42 -24.88 61.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -73.68 -36.23 65.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.914 HD22 HD23 ' A' ' 99' ' ' LEU . 4.1 pp -90.34 -40.83 11.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.675 ' N ' HD12 ' A' ' 73' ' ' LEU . 17.8 mt-10 -53.7 -56.76 14.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -46.22 -51.6 14.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.797 HD22 HE22 ' A' ' 44' ' ' GLN . 96.5 mt -43.54 -41.77 4.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.873 HD13 HG11 ' A' ' 96' ' ' VAL . 28.3 tp -36.19 -33.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.551 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.6 pp0? -49.59 -48.9 48.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.708 ' OD1' HG13 ' A' ' 37' ' ' VAL . 7.5 m-20 -42.71 -37.33 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.889 ' HB1' HG22 ' A' ' 89' ' ' VAL . . . -80.31 -56.38 4.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.746 ' CD2' HG11 ' A' ' 89' ' ' VAL . 8.4 m170 -65.46 -7.75 15.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 78' ' ' GLN . 28.5 mm-40 -82.26 -63.19 1.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.777 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -101.81 -76.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' ARG . 2.6 m -37.55 156.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 86' ' ' SER . 1.8 m-20 -98.67 158.91 15.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 85' ' ' ASP . 48.0 p -36.51 -35.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -60.39 -55.52 32.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -71.07 -36.02 72.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.889 HG22 ' HB1' ' A' ' 80' ' ' ALA . 91.6 t -66.9 -38.23 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.9 t -43.71 -45.07 6.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -59.37 -54.3 48.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 95' ' ' LEU . 7.3 mm -59.88 -55.95 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.777 HG23 HG12 ' A' ' 89' ' ' VAL . 15.4 t -35.89 -53.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -47.53 -42.24 22.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.652 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.6 mp -67.96 -69.07 0.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.873 HG11 HD13 ' A' ' 77' ' ' LEU . 2.7 p -39.13 -41.11 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -75.83 -59.29 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -43.39 -51.64 6.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.914 HD23 HD22 ' A' ' 73' ' ' LEU . 40.9 tp -47.08 -41.14 16.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.79 HD21 HD11 ' A' ' 73' ' ' LEU . 19.7 mt -71.66 -26.41 62.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 16.7 mt -77.46 -22.62 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.647 HG21 ' HG ' ' A' ' 18' ' ' LEU . 9.8 mt -88.57 -58.61 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.118 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.613 HG23 ' O ' ' A' ' 99' ' ' LEU . 5.2 pt -56.05 -32.55 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 54.2 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -179.919 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.52 ' SD ' HD12 ' A' ' 18' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.769 0.318 . . . . 0.0 110.864 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.494 ' N ' ' SD ' ' A' ' 14' ' ' MET . 25.3 mt-10 -37.72 -61.8 0.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.27 -36.06 1.99 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' GLU . 66.3 mtp180 -65.95 -69.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 0.0 110.822 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.782 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.5 mt -36.04 -38.77 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.497 ' OE1' HD13 ' A' ' 53' ' ' LEU . 12.8 mm-40 -59.71 -47.57 85.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' ARG . 15.9 tt0 -73.82 -27.95 61.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -56.1 -39.86 72.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.593 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.0 OUTLIER -81.03 -43.57 19.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 51.2 m -53.73 -24.4 14.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.05 -31.6 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.777 ' HB3' HD21 ' A' ' 95' ' ' LEU . 20.3 m-85 -117.41 75.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.965 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.16 128.93 25.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.766 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.625 2.216 . . . . 0.0 112.362 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.689 HG13 ' OD1' ' A' ' 79' ' ' ASP . 9.3 t . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.855 0.359 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' A' ' 80' ' ' ALA . 1.8 tm? -43.42 -56.71 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.459 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -56.61 -39.58 85.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 39' ' ' GLY . 11.6 t80 -36.8 -31.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.913 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.589 HD11 ' N ' ' A' ' 80' ' ' ALA . 14.5 mt -73.36 -58.28 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.51 ' HB2' HD12 ' A' ' 92' ' ' ILE . 9.2 t-160 -48.28 -50.75 28.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -58.92 -48.85 80.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.679 HE22 HD22 ' A' ' 76' ' ' LEU . 12.7 mt-30 -57.66 -62.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.623 HG23 HD22 ' A' ' 99' ' ' LEU . 84.1 mt -47.89 -59.25 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.766 HG21 ' HD3' ' A' ' 27' ' ' PRO . 13.6 t -39.68 -42.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.75 -47.27 72.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . 11.5 mt -56.69 -59.53 4.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.593 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -37.35 -50.65 1.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -47.02 -52.51 14.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -49.05 -54.05 17.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.52 ' SG ' HG22 ' A' ' 103' ' ' ILE . 5.0 t -42.47 -59.31 1.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.782 HD21 ' HB2' ' A' ' 18' ' ' LEU . 49.6 mt -45.27 -59.54 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.79 -33.19 15.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.761 ' CB ' HG13 ' A' ' 61' ' ' VAL . 24.4 mmtm -72.83 -64.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 87.4 p -42.25 -37.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.52 -39.77 75.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -106.11 1.55 26.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.429 ' C ' HD23 ' A' ' 60' ' ' LEU . 14.9 m120 71.04 51.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' ' 59' ' ' ASN . 5.1 mt -107.2 6.23 28.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.77 HG12 ' CD2' ' A' ' 65' ' ' TYR . 3.3 m -105.15 115.54 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' SER . 71.0 p -122.26 169.15 11.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.17 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 62' ' ' THR . 2.6 t -34.79 -58.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -51.61 -59.28 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.77 ' CD2' HG12 ' A' ' 61' ' ' VAL . 48.9 t80 -38.48 -44.86 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.581 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.9 m-85 -71.24 -62.88 1.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 mp -38.5 -52.17 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -66.47 -39.62 88.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.7 ttt -61.47 -36.29 80.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.407 ' HA ' HD21 ' A' ' 100' ' ' LEU . 13.9 mt-30 -66.03 -42.03 90.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.65 -36.1 73.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -63.25 -42.74 99.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.863 HD22 HD23 ' A' ' 99' ' ' LEU . 4.1 pp -81.63 -43.99 17.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.746 ' N ' HD12 ' A' ' 73' ' ' LEU . 13.5 mt-10 -48.97 -62.24 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -42.08 -56.37 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.679 HD22 HE22 ' A' ' 44' ' ' GLN . 93.5 mt -42.03 -41.71 2.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.862 HD13 HG11 ' A' ' 96' ' ' VAL . 30.6 tp -36.09 -38.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.954 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.542 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 5.2 pp0? -45.84 -48.35 15.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.689 ' OD1' HG13 ' A' ' 37' ' ' VAL . 5.7 m-20 -41.06 -39.57 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.589 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -80.67 -57.09 3.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.547 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 9.4 m170 -58.35 -11.17 2.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -83.0 -66.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.476 ' NH2' HG21 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -99.62 -56.13 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.508 ' HB3' HG22 ' A' ' 89' ' ' VAL . 16.6 t -44.94 146.37 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.823 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 87' ' ' GLU . 1.4 m-20 -102.09 154.43 18.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 85' ' ' ASP . 85.6 p -33.73 -34.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.9 pm0 -63.51 -50.79 68.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' ASP . 47.7 mt-10 -79.57 -46.35 17.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.809 HG12 HG23 ' A' ' 93' ' ' VAL . 22.0 t -49.9 -30.89 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.3 t -56.36 -38.71 71.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -62.79 -60.25 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.51 HD12 ' HB2' ' A' ' 42' ' ' HIS . 19.4 mm -59.14 -55.13 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.809 HG23 HG12 ' A' ' 89' ' ' VAL . 16.0 t -35.91 -49.94 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -52.26 -47.89 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.777 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.6 mp -62.83 -71.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.862 HG11 HD13 ' A' ' 77' ' ' LEU . 6.3 p -36.11 -36.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' A' ' 98' ' ' LYS . 8.3 ttt180 -77.48 -64.29 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 101' ' ' ILE . 25.4 mttp -41.23 -52.04 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.863 HD23 HD22 ' A' ' 73' ' ' LEU . 29.3 tp -43.57 -43.72 5.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.794 HD21 HD11 ' A' ' 73' ' ' LEU . 15.2 mt -72.64 -25.45 61.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' LYS . 11.3 mt -81.86 -19.33 10.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.507 HG21 ' HG ' ' A' ' 18' ' ' LEU . 17.2 mt -91.15 -63.12 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.581 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 32.4 pt -47.66 -35.15 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 103' ' ' ILE . 2.9 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.7 ttt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.762 0.315 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.522 ' O ' HD21 ' A' ' 53' ' ' LEU . 17.4 mt-10 -47.66 -57.17 5.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.44 -35.22 3.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.546 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 20' ' ' GLU . 55.7 mtp85 -68.34 -64.05 0.94 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.868 0.366 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' ARG . 5.5 mt -36.85 -40.32 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.74 ' OE1' HD13 ' A' ' 53' ' ' LEU . 13.0 mm-40 -61.07 -46.32 91.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 17' ' ' ARG . 15.1 tt0 -70.43 -29.37 65.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.446 ' CZ ' HD23 ' A' ' 95' ' ' LEU . 11.7 t80 -56.74 -44.01 81.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.83 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.0 OUTLIER -77.02 -43.09 35.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.9 m -53.48 -24.43 13.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.61 -31.19 11.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.775 ' HB3' HD21 ' A' ' 95' ' ' LEU . 19.7 m-85 -116.8 77.93 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -121.4 126.95 26.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 111.134 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.463 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.385 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.717 HG13 ' OD1' ' A' ' 79' ' ' ASP . 5.0 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.87 0.367 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.644 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.8 tm? -35.93 -57.92 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.588 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -53.41 -37.36 55.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.53 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 37' ' ' VAL . 7.9 t80 -43.28 -31.16 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.641 HD11 ' N ' ' A' ' 80' ' ' ALA . 13.1 mt -71.49 -57.47 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -48.48 -49.9 33.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -61.82 -46.38 89.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.425 ' NE2' HD22 ' A' ' 76' ' ' LEU . 18.4 mt-30 -59.02 -65.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.722 HG23 HD22 ' A' ' 99' ' ' LEU . 97.2 mt -47.01 -63.6 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.463 HG21 ' HD3' ' A' ' 27' ' ' PRO . 14.3 t -40.79 -42.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -68.96 -34.06 74.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.7 mt -67.31 -58.66 4.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.83 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -36.15 -49.34 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -46.22 -51.15 14.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.24 -52.89 24.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.5 t -41.58 -63.57 0.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.74 HD13 ' OE1' ' A' ' 19' ' ' GLN . 28.5 mt -46.41 -58.34 3.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.39 -26.37 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.65 ' CB ' HG13 ' A' ' 61' ' ' VAL . 46.2 mmtt -84.16 -62.97 1.43 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.7 t -46.35 -37.75 7.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.27 -36.01 73.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -108.48 5.45 25.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.403 ' C ' HD23 ' A' ' 60' ' ' LEU . 6.6 t30 66.87 48.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 60' ' ' LEU . 6.3 mt -101.58 -8.29 22.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.67 HG12 ' CE2' ' A' ' 65' ' ' TYR . 27.9 m -86.36 128.89 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.9 p -131.18 168.76 16.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.157 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 m -39.58 -52.23 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 65' ' ' TYR . 8.0 tpt180 -58.89 -57.06 14.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.67 ' CE2' HG12 ' A' ' 61' ' ' VAL . 67.4 t80 -34.88 -58.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -59.88 -61.9 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mt -39.24 -54.25 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.14 -40.06 86.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.401 ' O ' HD23 ' A' ' 73' ' ' LEU . 18.1 ttt -59.81 -33.27 71.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.452 ' CD ' HD22 ' A' ' 100' ' ' LEU . 20.6 mt-30 -71.3 -43.56 66.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -71.59 -29.02 64.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -71.33 -38.49 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.879 HD22 HD23 ' A' ' 99' ' ' LEU . 3.9 pp -85.3 -46.95 10.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.787 ' N ' HD12 ' A' ' 73' ' ' LEU . 16.6 mt-10 -46.93 -57.65 4.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -44.39 -53.83 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 73' ' ' LEU . 45.6 mt -41.64 -40.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.892 HD13 HG11 ' A' ' 96' ' ' VAL . 31.7 tp -35.78 -39.23 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.507 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.7 pp0? -44.97 -52.15 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.717 ' OD1' HG13 ' A' ' 37' ' ' VAL . 7.6 m-20 -39.08 -39.88 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.641 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -78.74 -57.87 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.52 ' CE1' HD21 ' A' ' 77' ' ' LEU . 8.4 m170 -62.02 -8.29 5.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' GLN . 28.2 mm-40 -83.09 -56.55 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.576 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -113.24 -55.47 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.72 ' HB3' HG22 ' A' ' 89' ' ' VAL . 10.6 t -41.21 145.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.616 ' O ' HG23 ' A' ' 89' ' ' VAL . 40.6 m-20 -95.03 155.7 16.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.0 p -37.88 -27.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 85' ' ' ASP . 8.4 pt-20 -69.03 -55.87 9.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.415 ' CB ' ' OG ' ' A' ' 84' ' ' SER . 7.3 mp0 -74.91 -44.6 47.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.72 HG22 ' HB3' ' A' ' 84' ' ' SER . 12.2 t -51.42 -41.07 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.8 t -49.99 -49.28 51.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -52.72 -61.66 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' VAL . 13.5 mm -54.99 -55.39 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.497 HG23 HG12 ' A' ' 89' ' ' VAL . 9.6 t -37.09 -43.78 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -56.48 -47.63 78.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.775 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.4 mp -63.99 -70.69 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.892 HG11 HD13 ' A' ' 77' ' ' LEU . 7.4 p -36.35 -34.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.0 ttm-85 -79.75 -59.64 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 101' ' ' ILE . 26.0 mttp -47.54 -51.49 20.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.879 HD23 HD22 ' A' ' 73' ' ' LEU . 28.4 tp -42.9 -40.39 2.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.827 HD21 HD11 ' A' ' 73' ' ' LEU . 26.2 mt -73.22 -30.61 63.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' LYS . 9.7 mt -77.47 -25.07 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.7 mt -85.62 -62.67 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.69 HG23 ' O ' ' A' ' 99' ' ' LEU . 11.6 pt -48.25 -30.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.8 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.714 0.292 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.467 ' O ' HD21 ' A' ' 53' ' ' LEU . 20.2 mt-10 -43.95 -50.63 8.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.37 -37.51 25.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.438 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.443 ' HB2' HG23 ' A' ' 102' ' ' ILE . 56.9 mtp180 -64.46 -56.68 12.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.51 ' HG ' HG21 ' A' ' 102' ' ' ILE . 3.5 mt -45.43 -30.57 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -65.71 -51.08 62.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -68.39 -30.49 69.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.428 ' CZ ' HD23 ' A' ' 95' ' ' LEU . 10.8 t80 -52.21 -47.22 65.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.492 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.9 mt -74.48 -45.68 44.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.9 m -51.92 -24.12 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.48 -21.61 15.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.679 ' HB3' HD21 ' A' ' 95' ' ' LEU . 20.8 m-85 -130.01 76.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -119.61 129.12 25.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.681 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.145 0 C-N-CA 122.694 2.263 . . . . 0.0 112.336 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.639 HG13 ' OD1' ' A' ' 79' ' ' ASP . 3.3 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.869 0.366 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.824 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.4 tm? -38.81 -45.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.6 -34.22 88.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 37' ' ' VAL . 17.6 t80 -47.39 -22.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.862 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.626 HD11 ' CB ' ' A' ' 79' ' ' ASP . 6.8 mt -77.59 -50.41 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -52.84 -52.81 55.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -58.94 -46.68 87.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.716 ' NE2' HD22 ' A' ' 76' ' ' LEU . 12.9 mt-30 -58.97 -62.12 2.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.562 HG23 HD22 ' A' ' 99' ' ' LEU . 80.7 mt -50.75 -64.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.681 HG21 ' HD3' ' A' ' 27' ' ' PRO . 29.3 t -40.49 -37.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -73.07 -40.33 65.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.2 mt -63.09 -55.69 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.492 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -41.84 -47.67 4.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.5 mtp85 -48.38 -51.93 24.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -47.49 -52.82 16.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.1 t -42.67 -60.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.467 HD21 ' O ' ' A' ' 15' ' ' GLU . 19.8 mt -44.95 -58.16 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.54 -28.92 22.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.73 ' CB ' HG13 ' A' ' 61' ' ' VAL . 47.6 mmtt -79.7 -69.38 0.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 m -40.78 -39.46 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.74 -40.97 73.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.514 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.403 ' HB2' HD21 ' A' ' 60' ' ' LEU . 11.5 mm-40 -105.47 10.88 33.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.932 0.396 . . . . 0.0 110.903 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.6 m120 63.07 42.93 6.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 60' ' ' LEU . 5.2 mt -91.63 -24.07 19.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.73 HG13 ' CB ' ' A' ' 55' ' ' LYS . 31.2 m -70.42 133.68 31.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.9 p -132.54 167.33 20.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 m -41.05 -54.48 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 65' ' ' TYR . 3.7 tpp85 -57.75 -54.22 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.531 ' CE2' HG12 ' A' ' 61' ' ' VAL . 72.4 t80 -36.13 -58.06 0.68 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.2 m-85 -57.27 -63.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.6 mp -36.08 -59.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.418 ' CD ' ' OE2' ' A' ' 71' ' ' GLU . 16.5 mm-40 -60.95 -42.04 97.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.2 ttt -59.77 -32.91 71.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -68.6 -52.45 31.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.418 ' OE2' ' CD ' ' A' ' 68' ' ' GLU . 8.9 pt-20 -66.03 -29.59 69.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -68.25 -47.12 68.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.036 HD11 HD21 ' A' ' 100' ' ' LEU . 3.5 pp -76.63 -47.49 22.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.951 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.751 ' N ' HD12 ' A' ' 73' ' ' LEU . 14.3 mt-10 -50.02 -56.22 11.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.9 tpp85 -44.49 -49.8 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.716 HD22 ' NE2' ' A' ' 44' ' ' GLN . 84.1 mt -46.39 -42.03 14.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.896 HD13 HG11 ' A' ' 96' ' ' VAL . 21.9 tp -37.82 -30.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.556 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.8 pp0? -51.88 -47.98 64.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.639 ' OD1' HG13 ' A' ' 37' ' ' VAL . 7.0 m-20 -45.79 -35.45 4.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.553 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -82.0 -58.06 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.524 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 11.5 m170 -58.93 -10.33 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -83.45 -69.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -98.88 -60.68 1.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.563 ' CB ' HD23 ' A' ' 38' ' ' LEU . 30.5 t -38.13 156.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 87' ' ' GLU . 5.4 m-20 -110.52 155.43 22.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 85' ' ' ASP . 11.3 p -34.22 -33.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 85' ' ' ASP . 15.9 pt-20 -63.88 -52.99 57.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' A' ' 87' ' ' GLU . 3.7 mp0 -77.37 -44.22 30.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.735 HG12 HG23 ' A' ' 93' ' ' VAL . 18.5 t -56.56 -26.8 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.2 t -59.4 -43.64 92.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -61.64 -62.35 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.2 mm -54.33 -52.7 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.735 HG23 HG12 ' A' ' 89' ' ' VAL . 8.4 t -38.15 -52.04 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.073 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -49.57 -45.84 48.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.679 HD21 ' HB3' ' A' ' 25' ' ' TYR . 5.0 mp -63.68 -71.13 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.896 HG11 HD13 ' A' ' 77' ' ' LEU . 7.7 p -36.56 -35.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -78.96 -66.56 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 101' ' ' ILE . 10.6 mttm -42.46 -47.37 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.826 HD23 HD22 ' A' ' 73' ' ' LEU . 12.8 tp -45.7 -43.43 12.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.036 HD21 HD11 ' A' ' 73' ' ' LEU . 5.6 mt -74.38 -22.47 59.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 98' ' ' LYS . 5.3 mt -85.43 -19.81 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.51 HG21 ' HG ' ' A' ' 18' ' ' LEU . 14.3 mt -90.49 -57.06 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 27.8 pt -56.65 -29.06 28.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.0 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.868 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.6 ttt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.715 0.293 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.582 ' O ' HD21 ' A' ' 53' ' ' LEU . 33.4 mt-10 -43.58 -45.47 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.839 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.3 -39.04 81.29 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -62.12 -56.9 14.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.351 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.435 ' HG ' ' CG2' ' A' ' 102' ' ' ILE . 5.9 mt -41.76 -37.26 1.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -60.55 -55.3 35.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -62.3 -33.09 73.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -52.47 -44.33 65.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.693 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.0 OUTLIER -78.45 -45.73 21.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.2 m -53.74 -25.86 20.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.8 -35.46 12.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.69 ' HB3' HD21 ' A' ' 95' ' ' LEU . 20.1 m-85 -117.21 80.15 1.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.25 125.17 28.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.536 0.684 . . . . 0.0 111.079 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.589 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.769 HG13 ' OD1' ' A' ' 79' ' ' ASP . 12.8 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.858 0.361 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.577 HD13 ' N ' ' A' ' 39' ' ' GLY . 1.9 tm? -35.84 -60.53 0.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.577 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -53.88 -37.79 58.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' VAL . 11.0 t80 -38.26 -32.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.521 HG22 ' CD1' ' A' ' 45' ' ' ILE . 13.3 mt -71.54 -60.01 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.499 ' HB2' HD12 ' A' ' 92' ' ' ILE . 20.8 t-160 -48.18 -48.22 34.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -61.49 -44.14 97.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.547 HE22 HD22 ' A' ' 76' ' ' LEU . 13.5 mt-30 -64.14 -71.93 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.76 HG23 HD22 ' A' ' 99' ' ' LEU . 86.6 mt -38.8 -60.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.589 HG21 ' HD3' ' A' ' 27' ' ' PRO . 42.7 t -43.02 -41.14 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -71.47 -34.8 70.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 48' ' ' LEU . 13.4 mt -65.23 -57.9 7.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.693 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -37.45 -47.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -46.99 -52.01 15.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -53.04 -44.19 67.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.409 ' SG ' HG22 ' A' ' 103' ' ' ILE . 2.6 t -50.85 -54.13 26.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.582 HD21 ' O ' ' A' ' 15' ' ' GLU . 24.5 mt -50.78 -57.92 7.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.17 -32.31 35.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.691 ' CB ' HG13 ' A' ' 61' ' ' VAL . 39.8 mmtt -71.2 -65.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.8 t -50.21 -34.94 24.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.34 -35.76 91.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -109.09 11.39 25.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.392 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.1 m120 64.08 46.26 3.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mt -99.98 -24.46 14.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.691 HG13 ' CB ' ' A' ' 55' ' ' LYS . 23.9 m -65.96 118.68 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.6 p -122.08 159.98 25.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.9 m -37.6 -49.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -61.03 -49.79 75.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.455 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 61.6 t80 -39.68 -58.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.577 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.5 m-85 -60.49 -61.77 2.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' PHE . 3.6 mt -36.92 -58.94 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -63.42 -41.26 98.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.3 ttt -56.37 -37.81 70.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -63.64 -47.2 82.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.25 -33.2 72.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -65.3 -44.1 88.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.96 HD11 HD21 ' A' ' 100' ' ' LEU . 3.6 pp -80.4 -48.5 12.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.746 ' N ' HD12 ' A' ' 73' ' ' LEU . 18.4 mt-10 -44.77 -63.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.7 tpt85 -40.14 -56.52 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.547 HD22 HE22 ' A' ' 44' ' ' GLN . 78.5 mt -39.97 -40.41 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.79 HD13 HG11 ' A' ' 96' ' ' VAL . 26.7 tp -35.61 -40.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.531 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.3 pp0? -45.34 -49.67 12.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.769 ' OD1' HG13 ' A' ' 37' ' ' VAL . 7.1 m-20 -39.63 -35.9 0.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.552 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -84.47 -58.31 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.469 ' CE1' HD21 ' A' ' 77' ' ' LEU . 7.8 m170 -61.5 -7.93 3.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 78' ' ' GLN . 18.1 mm-40 -80.44 -60.29 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.505 ' HD2' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -114.23 -52.03 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.531 ' HB3' HG22 ' A' ' 89' ' ' VAL . 14.5 t -42.66 150.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 87' ' ' GLU . 21.5 m-20 -101.75 150.98 22.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 85' ' ' ASP . 13.6 t -37.92 -26.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 85' ' ' ASP . 9.6 pt-20 -67.79 -46.6 71.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 85' ' ' ASP . 24.5 mt-10 -86.79 -33.61 19.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.675 HG12 HG23 ' A' ' 93' ' ' VAL . 16.5 t -64.51 -34.83 72.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.6 t -51.54 -44.97 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -61.6 -64.67 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.499 HD12 ' HB2' ' A' ' 42' ' ' HIS . 26.0 mm -49.77 -49.59 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.675 HG23 HG12 ' A' ' 89' ' ' VAL . 25.4 t -41.87 -46.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -53.36 -44.1 68.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.69 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.9 mp -64.25 -70.83 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.79 HG11 HD13 ' A' ' 77' ' ' LEU . 5.9 p -38.82 -37.14 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.4 ttm-85 -75.59 -64.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 101' ' ' ILE . 9.4 mttm -43.14 -51.87 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.855 HD23 HD22 ' A' ' 73' ' ' LEU . 23.2 tp -40.93 -49.69 3.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.96 HD21 HD11 ' A' ' 73' ' ' LEU . 22.9 mt -63.98 -29.71 70.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 98' ' ' LYS . 10.0 mt -78.92 -29.47 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.435 ' CG2' ' HG ' ' A' ' 18' ' ' LEU . 20.6 mt -79.93 -62.91 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.577 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 31.9 pt -47.99 -27.04 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.911 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.8 ttp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.77 0.319 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' ARG . 13.7 mm-40 -46.89 -64.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' GLU . . . -36.29 -33.32 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 15' ' ' GLU . 59.6 mtp180 -71.71 -66.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 0.0 110.86 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.649 ' HB2' HD21 ' A' ' 53' ' ' LEU . 4.5 mt -37.29 -34.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -64.22 -57.21 10.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.42 -31.11 71.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.416 ' CZ ' HD23 ' A' ' 95' ' ' LEU . 14.7 t80 -55.31 -45.22 76.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.643 HD13 ' HD3' ' A' ' 50' ' ' ARG . 1.3 mt -76.97 -44.83 29.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.7 m -52.82 -24.65 9.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.22 -27.86 12.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.782 ' HB3' HD21 ' A' ' 95' ' ' LEU . 18.4 m-30 -120.11 78.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -123.47 120.04 27.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.587 0.708 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.248 . . . . 0.0 112.369 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.558 HG12 ' HG3' ' A' ' 83' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.867 0.365 . . . . 0.0 111.133 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.809 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.6 tm? -39.82 -52.76 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.505 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -53.17 -33.81 46.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 37' ' ' VAL . 4.3 t80 -45.49 -32.08 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 110.882 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.7 HD11 ' HB2' ' A' ' 79' ' ' ASP . 14.0 mt -74.32 -60.24 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.419 ' HB2' HD12 ' A' ' 92' ' ' ILE . 10.4 t-160 -46.56 -44.63 18.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -66.03 -45.87 79.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.523 HE22 HD22 ' A' ' 76' ' ' LEU . 16.0 mt-30 -60.3 -56.67 18.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.695 HG23 HD22 ' A' ' 99' ' ' LEU . 84.2 mt -54.57 -62.67 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -45.31 -31.09 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -78.58 -36.3 44.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.2 mt -68.99 -47.75 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.417 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -45.67 -49.2 14.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.086 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.643 ' HD3' HD13 ' A' ' 22' ' ' LEU . 18.2 mmm180 -47.59 -53.12 15.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 37.9 t0 -49.67 -45.61 48.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.2 t -47.03 -55.37 8.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.649 HD21 ' HB2' ' A' ' 18' ' ' LEU . 11.3 mt -51.39 -60.74 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.78 -29.61 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.05 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.696 ' CB ' HG13 ' A' ' 61' ' ' VAL . 34.3 mmtt -76.66 -66.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.2 m -45.8 -39.66 8.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.91 -38.89 76.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -104.7 3.47 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 68.9 48.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 60' ' ' LEU . 5.8 mt -100.03 -22.01 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.696 HG13 ' CB ' ' A' ' 55' ' ' LYS . 29.5 m -69.2 122.34 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 63' ' ' SER . 63.2 p -122.55 158.15 30.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.501 ' O ' HD23 ' A' ' 67' ' ' LEU . 33.7 p -34.55 -54.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.827 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 65' ' ' TYR . 0.7 OUTLIER -59.55 -52.25 66.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.655 ' CE2' HG12 ' A' ' 61' ' ' VAL . 64.4 t80 -35.38 -57.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.508 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.1 m-85 -58.93 -63.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 63' ' ' SER . 4.2 mm? -34.02 -57.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -61.59 -39.78 92.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.469 ' N ' ' O ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -60.02 -44.04 94.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.416 ' HB3' HD22 ' A' ' 100' ' ' LEU . 21.8 mt-30 -66.57 -49.75 65.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -63.32 -31.06 72.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -69.98 -52.63 22.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.942 HD22 HD23 ' A' ' 99' ' ' LEU . 2.3 pp -68.65 -47.96 65.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.644 ' N ' HD12 ' A' ' 73' ' ' LEU . 17.8 mt-10 -45.73 -55.45 6.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -49.57 -52.33 30.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.523 HD22 HE22 ' A' ' 44' ' ' GLN . 93.9 mt -42.52 -41.44 2.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.691 HD13 HG11 ' A' ' 96' ' ' VAL . 25.5 tp -35.74 -34.59 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.445 ' CD ' ' N ' ' A' ' 79' ' ' ASP . 4.2 pp0? -47.25 -51.07 19.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.7 ' HB2' HD11 ' A' ' 41' ' ' ILE . 15.4 m-20 -44.45 -40.23 5.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.559 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -76.56 -57.12 4.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.616 ' CE1' HD21 ' A' ' 77' ' ' LEU . 11.9 m170 -61.55 -8.79 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -86.81 -69.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.558 ' HG3' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -94.8 -65.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.657 ' HB3' HG22 ' A' ' 89' ' ' VAL . 8.0 t -34.12 148.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 87' ' ' GLU . 19.6 t70 -98.74 155.03 17.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 85' ' ' ASP . 87.6 p -35.77 -31.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 85' ' ' ASP . 4.8 tp10 -64.88 -63.87 1.01 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -66.51 -45.56 79.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.657 HG22 ' HB3' ' A' ' 84' ' ' SER . 62.7 t -49.29 -46.26 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.3 t -50.09 -33.9 20.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -64.56 -58.65 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.419 HD12 ' HB2' ' A' ' 42' ' ' HIS . 5.4 mm -59.8 -47.11 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.16 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.9 t -43.16 -43.68 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -57.2 -46.8 82.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.782 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.2 mp -65.14 -69.54 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.691 HG11 HD13 ' A' ' 77' ' ' LEU . 7.6 p -36.5 -35.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.624 HH11 HD11 ' A' ' 101' ' ' ILE . 6.6 ttm-85 -79.81 -60.42 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 101' ' ' ILE . 26.1 mttp -45.18 -55.09 6.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.942 HD23 HD22 ' A' ' 73' ' ' LEU . 33.9 tp -40.31 -42.65 1.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.883 HD21 HD11 ' A' ' 73' ' ' LEU . 26.4 mt -71.62 -33.02 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.624 HD11 HH11 ' A' ' 97' ' ' ARG . 9.4 mt -71.52 -24.84 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.0 mt -86.98 -58.34 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.759 HG23 ' O ' ' A' ' 99' ' ' LEU . 8.2 pt -56.26 -31.09 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.3 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.907 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.747 0.308 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -41.25 -56.79 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.43 -37.84 4.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.594 ' HB2' HG23 ' A' ' 102' ' ' ILE . 26.6 mtp180 -62.89 -59.44 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.806 0.336 . . . . 0.0 110.919 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.665 ' HG ' HG21 ' A' ' 102' ' ' ILE . 3.2 mt -45.76 -30.82 1.75 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -63.53 -47.71 80.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -70.41 -25.7 63.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.61 ' CZ ' HD23 ' A' ' 95' ' ' LEU . 21.9 t80 -57.6 -40.8 79.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.93 -36.36 36.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.7 m -62.03 -22.26 65.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.35 -28.99 11.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.641 ' HB3' HD21 ' A' ' 95' ' ' LEU . 19.8 m-85 -126.19 102.55 7.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -135.65 120.71 13.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.709 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.65 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.267 . . . . 0.0 112.344 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.755 HG13 ' OD1' ' A' ' 79' ' ' ASP . 9.3 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.875 0.369 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.739 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.2 tm? -35.91 -55.87 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.66 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -55.99 -34.91 62.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' A' ' 37' ' ' VAL . 8.7 t80 -44.3 -34.83 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.621 HD11 ' HB2' ' A' ' 79' ' ' ASP . 10.3 mt -64.95 -60.38 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.623 ' O ' HG23 ' A' ' 46' ' ' VAL . 5.9 t-160 -41.51 -45.5 3.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -67.18 -46.77 72.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -59.52 -68.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.502 HG23 HD22 ' A' ' 99' ' ' LEU . 97.7 mt -45.12 -69.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.65 HG21 ' HD3' ' A' ' 27' ' ' PRO . 89.0 t -36.45 -43.64 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -66.6 -41.2 88.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 45' ' ' ILE . 13.6 mt -63.29 -39.56 94.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.95 -47.59 77.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -50.42 -50.1 52.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -52.59 -46.16 66.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.69 -58.81 5.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.1 mt -40.42 -58.14 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.81 -40.39 66.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.76 ' CB ' HG13 ' A' ' 61' ' ' VAL . 35.3 mmtt -61.47 -66.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.2 t -49.68 -30.33 8.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.09 -31.37 79.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -115.97 18.98 15.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 57.98 48.39 13.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.421 ' O ' HG23 ' A' ' 62' ' ' THR . 6.2 mt -100.56 -30.69 11.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.813 HG12 ' CE2' ' A' ' 65' ' ' TYR . 19.5 m -63.1 112.25 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 60' ' ' LEU . 50.5 p -115.3 159.25 21.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' THR . 12.6 t -35.51 -50.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -61.87 -48.26 81.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.813 ' CE2' HG12 ' A' ' 61' ' ' VAL . 40.1 t80 -41.1 -47.22 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.582 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 23.3 m-85 -71.71 -62.75 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.5 mp -36.0 -45.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -73.39 -44.12 59.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.668 ' HG3' HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -56.6 -52.77 63.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -49.2 -44.76 43.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -73.15 -38.17 66.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -62.16 -36.31 81.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.982 HD22 HD23 ' A' ' 99' ' ' LEU . 4.1 pp -88.11 -44.37 10.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.742 ' N ' HD12 ' A' ' 73' ' ' LEU . 21.6 mt-10 -48.75 -64.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -40.57 -56.73 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 73' ' ' LEU . 89.9 mt -40.15 -39.08 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.822 HD13 HG11 ' A' ' 96' ' ' VAL . 27.8 tp -35.7 -38.73 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.498 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.6 pp0? -46.54 -48.79 19.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.755 ' OD1' HG13 ' A' ' 37' ' ' VAL . 9.5 m-20 -40.76 -33.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.607 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -88.35 -57.55 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.534 ' CE1' HD21 ' A' ' 77' ' ' LEU . 9.7 m170 -61.51 -8.24 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 78' ' ' GLN . 22.2 mm-40 -83.38 -60.32 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.452 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -109.74 -54.22 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.688 ' HB3' HG22 ' A' ' 89' ' ' VAL . 7.6 t -39.85 157.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.657 ' O ' HG23 ' A' ' 89' ' ' VAL . 1.5 m-20 -110.92 158.5 18.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 85' ' ' ASP . 48.9 p -37.04 -28.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 85' ' ' ASP . 8.1 tt0 -69.71 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.82 -44.59 89.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.688 HG22 ' HB3' ' A' ' 84' ' ' SER . 16.0 t -52.85 -39.21 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.8 t -51.93 -44.97 64.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -58.06 -60.06 4.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 95' ' ' LEU . 14.9 mm -57.59 -57.41 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.652 HG23 HG12 ' A' ' 89' ' ' VAL . 13.0 t -35.56 -47.83 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -54.19 -42.99 70.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.641 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.4 mp -68.96 -70.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.822 HG11 HD13 ' A' ' 77' ' ' LEU . 5.7 p -35.88 -37.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -80.87 -57.92 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -44.78 -51.0 9.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.982 HD23 HD22 ' A' ' 73' ' ' LEU . 37.4 tp -45.14 -46.49 11.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.904 HD21 HD11 ' A' ' 73' ' ' LEU . 16.0 mt -64.85 -28.35 69.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.0 mt -74.72 -26.43 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.665 HG21 ' HG ' ' A' ' 18' ' ' LEU . 10.4 mt -87.12 -63.03 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.582 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 15.0 pt -49.61 -29.41 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 -179.905 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.477 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.768 0.318 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.477 ' N ' ' SD ' ' A' ' 14' ' ' MET . 39.2 mt-10 -51.55 -47.15 63.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.95 -26.17 18.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.46 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.456 ' HB2' HG23 ' A' ' 102' ' ' ILE . 13.0 mtp85 -76.95 -59.57 2.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.596 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.2 mt -40.0 -28.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 17' ' ' ARG . 21.4 mt-30 -66.67 -49.98 64.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -67.65 -28.86 68.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -57.08 -44.62 83.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.535 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.5 mt -77.7 -41.54 37.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 60.1 m -57.64 -22.69 47.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.91 -25.63 14.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.078 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.58 ' HB3' HD21 ' A' ' 95' ' ' LEU . 20.6 m-85 -126.16 85.01 2.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.921 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -124.62 128.2 25.0 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.562 0.696 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.631 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.136 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.703 HG11 ' HD3' ' A' ' 83' ' ' ARG . 2.9 t . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.857 0.36 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.634 ' C ' HD13 ' A' ' 38' ' ' LEU . 2.3 tm? -44.37 -49.85 9.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.95 -22.98 67.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.425 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.435 ' CD2' ' NE2' ' A' ' 44' ' ' GLN . 6.3 t80 -52.85 -33.4 49.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.738 HG22 HD12 ' A' ' 45' ' ' ILE . 11.8 mt -69.06 -59.15 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.602 ' O ' HG23 ' A' ' 46' ' ' VAL . 17.9 t-160 -47.32 -49.54 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.814 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -60.67 -42.65 97.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.479 ' NE2' HD22 ' A' ' 76' ' ' LEU . 22.7 mt-30 -68.24 -67.8 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.738 HD12 HG22 ' A' ' 41' ' ' ILE . 52.5 mt -42.44 -65.05 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.631 HG21 ' HD3' ' A' ' 27' ' ' PRO . 53.4 t -34.33 -41.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -69.92 -45.2 68.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.7 mt -57.32 -44.16 83.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.535 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -53.69 -50.83 64.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -48.61 -46.64 39.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.84 -52.07 52.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.404 ' SG ' HG22 ' A' ' 103' ' ' ILE . 1.8 t -44.4 -59.25 2.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.596 HD21 ' HB2' ' A' ' 18' ' ' LEU . 40.7 mt -44.61 -59.09 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.48 -34.43 61.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.643 ' HB3' HG13 ' A' ' 61' ' ' VAL . 28.1 mmtm -69.42 -64.28 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.1 m -42.46 -45.23 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -48.41 -43.49 27.31 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -100.52 4.4 43.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 68.83 47.53 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.438 ' HB2' ' CD ' ' A' ' 55' ' ' LYS . 7.0 mt -103.64 12.44 34.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.643 HG13 ' HB3' ' A' ' 55' ' ' LYS . 20.4 m -116.71 118.78 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.1 p -130.49 171.0 13.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.4 p -37.26 -42.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 65' ' ' TYR . 6.5 tpt180 -67.19 -62.57 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.489 ' CE2' HG12 ' A' ' 61' ' ' VAL . 84.4 t80 -34.9 -49.79 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.577 ' HD1' HD12 ' A' ' 103' ' ' ILE . 29.9 m-85 -64.23 -63.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -34.29 -61.43 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -58.53 -36.27 73.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.81 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 66' ' ' PHE . 10.7 ttt -65.09 -62.63 1.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.667 ' HB3' HD22 ' A' ' 100' ' ' LEU . 9.9 mt-30 -39.56 -43.11 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.15 -40.1 65.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -59.95 -36.13 76.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.979 HD22 HD23 ' A' ' 99' ' ' LEU . 3.7 pp -88.72 -43.86 10.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.666 ' N ' HD12 ' A' ' 73' ' ' LEU . 17.4 mt-10 -50.71 -58.19 6.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -43.2 -53.57 5.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.479 HD22 ' NE2' ' A' ' 44' ' ' GLN . 74.4 mt -42.58 -41.51 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.916 HD13 HG11 ' A' ' 96' ' ' VAL . 29.5 tp -36.05 -35.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.5 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.4 pp0? -46.39 -51.8 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.691 ' OD1' HG13 ' A' ' 37' ' ' VAL . 6.8 m-20 -38.25 -35.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.49 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -84.0 -55.98 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.605 ' CE1' HD21 ' A' ' 77' ' ' LEU . 7.8 m170 -62.41 -7.76 4.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 78' ' ' GLN . 15.1 mt-10 -86.35 -49.97 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.703 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -115.71 -73.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.743 ' OG ' HG22 ' A' ' 89' ' ' VAL . 95.6 p -34.75 152.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.569 ' O ' HG23 ' A' ' 89' ' ' VAL . 0.7 OUTLIER -98.86 158.08 15.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 85' ' ' ASP . 60.0 p -32.36 -38.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 85' ' ' ASP . 5.0 mp0 -61.09 -65.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -60.55 -33.66 72.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.943 HG12 HG23 ' A' ' 93' ' ' VAL . 15.9 t -70.89 -25.13 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.4 p -58.36 -36.34 73.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -67.22 -58.92 3.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 95' ' ' LEU . 12.2 mm -60.5 -52.53 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.943 HG23 HG12 ' A' ' 89' ' ' VAL . 3.0 t -38.4 -49.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -52.51 -43.66 65.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.58 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.7 mp -64.64 -69.28 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.916 HG11 HD13 ' A' ' 77' ' ' LEU . 4.8 p -38.07 -35.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -79.06 -64.98 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 101' ' ' ILE . 9.0 mttm -43.55 -48.84 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.979 HD23 HD22 ' A' ' 73' ' ' LEU . 11.4 tp -43.1 -46.18 5.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.796 HD21 HD11 ' A' ' 73' ' ' LEU . 7.8 mt -71.87 -24.5 61.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 98' ' ' LYS . 13.8 mt -80.95 -16.07 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.456 HG23 ' HB2' ' A' ' 17' ' ' ARG . 13.2 mt -96.74 -63.1 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.093 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.577 HD12 ' HD1' ' A' ' 66' ' ' PHE . 24.5 pt -50.26 -29.03 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.925 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.471 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.471 ' N ' ' SD ' ' A' ' 14' ' ' MET . 57.5 mt-10 -41.16 -59.34 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -38.85 -39.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.45 ' HB2' HG23 ' A' ' 102' ' ' ILE . 56.0 mtp85 -63.48 -65.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.487 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.4 mt -36.0 -39.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.647 ' OE1' HD13 ' A' ' 53' ' ' LEU . 15.5 mm-40 -59.49 -49.3 78.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' ARG . 14.3 tt0 -71.88 -25.67 62.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.401 ' CE1' ' HD2' ' A' ' 25' ' ' TYR . 4.5 t80 -58.12 -39.48 78.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.696 HD21 ' HB3' ' A' ' 49' ' ' ALA . 0.8 OUTLIER -81.58 -43.62 18.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.7 m -53.56 -25.53 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.24 -34.57 12.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.786 ' HB3' HD21 ' A' ' 95' ' ' LEU . 7.8 m-85 -112.8 48.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.0 114.05 61.57 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 111.075 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.408 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.704 2.269 . . . . 0.0 112.372 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.704 HG13 ' OD1' ' A' ' 79' ' ' ASP . 6.5 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.889 0.376 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.632 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.6 tm? -35.76 -49.88 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.451 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -60.66 -39.27 96.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.526 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 37' ' ' VAL . 8.7 t80 -40.24 -28.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.854 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.595 HD11 ' HB2' ' A' ' 79' ' ' ASP . 10.9 mt -76.78 -56.39 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -52.26 -48.29 65.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -63.39 -41.14 98.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.673 HE22 HD22 ' A' ' 76' ' ' LEU . 12.6 mt-30 -64.72 -66.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.685 HG23 HD22 ' A' ' 99' ' ' LEU . 84.2 mt -45.76 -65.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.408 HG21 ' HD3' ' A' ' 27' ' ' PRO . 38.3 t -41.43 -34.97 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -77.14 -35.69 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.5 mt -66.98 -56.03 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.696 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -38.69 -47.41 1.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.649 ' HD3' HD13 ' A' ' 22' ' ' LEU . 13.3 mmm180 -46.64 -50.81 17.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.33 -50.3 62.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.469 ' SG ' HG22 ' A' ' 103' ' ' ILE . 8.6 t -43.54 -58.57 2.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.647 HD13 ' OE1' ' A' ' 19' ' ' GLN . 53.5 mt -50.44 -56.7 10.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.07 -28.8 11.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.671 ' CB ' HG13 ' A' ' 61' ' ' VAL . 26.0 mmtt -78.22 -63.35 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.8 m -48.75 -40.7 29.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.66 -31.28 53.0 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -112.14 1.55 16.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 t30 71.31 45.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 mt -97.86 -20.61 17.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.671 HG13 ' CB ' ' A' ' 55' ' ' LYS . 31.0 m -70.76 133.75 31.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.8 p -133.49 164.53 26.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.5 t -41.55 -48.93 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' TYR . 9.0 tpt180 -62.26 -52.37 64.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.528 ' CE2' HG12 ' A' ' 61' ' ' VAL . 58.7 t80 -37.27 -57.19 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.538 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 22.0 m-85 -62.16 -63.18 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PHE . 3.9 mt -36.8 -46.59 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -74.76 -45.75 41.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.9 ttt -52.62 -38.11 59.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -62.93 -45.43 92.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -71.07 -34.32 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -63.96 -41.59 97.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.928 HD11 HD21 ' A' ' 100' ' ' LEU . 3.7 pp -83.84 -48.33 10.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.765 ' N ' HD12 ' A' ' 73' ' ' LEU . 25.7 mt-10 -43.78 -66.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -37.61 -56.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.673 HD22 HE22 ' A' ' 44' ' ' GLN . 65.4 mt -39.58 -41.23 0.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.801 HD13 HG11 ' A' ' 96' ' ' VAL . 31.4 tp -35.62 -40.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.53 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.8 pp0? -44.57 -49.67 10.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.704 ' OD1' HG13 ' A' ' 37' ' ' VAL . 6.8 m-20 -40.56 -36.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.593 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -81.8 -58.49 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.469 ' CD2' ' CG1' ' A' ' 89' ' ' VAL . 7.9 m170 -60.99 -8.59 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 78' ' ' GLN . 27.6 mm-40 -83.76 -68.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.633 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -99.6 -54.02 3.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.797 ' HB3' HG22 ' A' ' 89' ' ' VAL . 5.2 t -43.35 156.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.721 ' O ' HG23 ' A' ' 89' ' ' VAL . 6.3 m-20 -103.76 154.01 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.0 p -38.07 -27.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 85' ' ' ASP . 31.0 mt-10 -69.27 -66.24 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.88 -40.93 97.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.797 HG22 ' HB3' ' A' ' 84' ' ' SER . 17.4 t -55.25 -38.41 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.4 t -48.63 -50.24 33.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -55.03 -63.81 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.7 mm -48.95 -50.74 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.465 HG23 HG12 ' A' ' 89' ' ' VAL . 10.5 t -44.99 -46.36 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -56.45 -47.94 78.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.786 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.1 mp -61.99 -67.19 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.801 HG11 HD13 ' A' ' 77' ' ' LEU . 5.6 p -38.74 -38.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.476 ' HG2' ' N ' ' A' ' 98' ' ' LYS . 3.0 ttt85 -76.93 -64.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.476 ' N ' ' HG2' ' A' ' 97' ' ' ARG . 25.6 mttp -40.74 -46.6 2.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.685 HD22 HG23 ' A' ' 45' ' ' ILE . 23.3 tp -47.97 -46.21 32.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.928 HD21 HD11 ' A' ' 73' ' ' LEU . 10.3 mt -70.75 -27.27 63.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 11.1 mt -76.92 -18.62 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.45 HG23 ' HB2' ' A' ' 17' ' ' ARG . 15.4 mt -93.13 -61.65 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.076 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.538 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 32.5 pt -50.62 -28.47 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.929 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.443 ' CE ' ' HA ' ' A' ' 103' ' ' ILE . 7.1 ttt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.735 0.302 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -45.19 -52.79 8.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.99 -37.75 9.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 18' ' ' LEU . 62.2 mtt180 -67.26 -63.03 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.468 ' HG ' HG21 ' A' ' 102' ' ' ILE . 4.8 mt -36.56 -40.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -58.86 -56.04 27.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -62.78 -30.76 71.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -57.21 -44.54 83.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.659 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.5 mt -79.09 -46.15 18.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.9 m -53.19 -23.5 8.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.75 -36.51 10.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.688 ' HB3' HD21 ' A' ' 95' ' ' LEU . 17.6 m-85 -114.22 65.69 0.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.13 114.06 63.98 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.614 0.721 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.48 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.786 HG13 ' OD1' ' A' ' 79' ' ' ASP . 12.3 t . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.842 0.353 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.678 ' C ' HD13 ' A' ' 38' ' ' LEU . 2.0 tm? -35.72 -57.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.554 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -56.06 -35.54 64.68 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.481 ' CD2' ' NE2' ' A' ' 44' ' ' GLN . 7.0 t80 -41.15 -31.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.64 HD11 ' HB2' ' A' ' 79' ' ' ASP . 15.5 mt -73.95 -59.66 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.679 ' O ' HG23 ' A' ' 46' ' ' VAL . 18.0 t-160 -46.06 -43.49 14.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -68.89 -53.71 19.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.584 ' NE2' HD22 ' A' ' 76' ' ' LEU . 16.1 mt-30 -53.21 -60.69 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.714 HG23 HD22 ' A' ' 99' ' ' LEU . 93.3 mt -50.1 -63.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 42' ' ' HIS . 75.4 t -45.16 -28.3 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.38 -40.26 36.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.6 mt -66.75 -48.36 69.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.659 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -44.71 -49.08 10.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -48.61 -52.3 23.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -48.03 -50.85 26.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' LYS . 5.1 t -46.91 -64.91 0.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' A' ' 18' ' ' LEU . 18.8 mt -36.53 -58.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.05 -38.43 65.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.665 ' CB ' HG13 ' A' ' 61' ' ' VAL . 34.5 mmtt -65.73 -66.79 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.9 p -44.63 -40.13 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.96 -40.91 83.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.449 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -104.26 13.22 32.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.2 m120 59.95 50.3 6.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.437 ' HB2' ' CD ' ' A' ' 55' ' ' LYS . 7.0 mt -102.23 -24.52 13.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.665 HG13 ' CB ' ' A' ' 55' ' ' LYS . 23.1 m -65.88 118.44 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.5 p -120.06 163.06 18.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.0 p -37.65 -57.88 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 tpp85 -56.03 -49.81 72.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.642 ' CE2' HG12 ' A' ' 61' ' ' VAL . 61.3 t80 -39.19 -48.15 1.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.566 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.3 m-85 -71.94 -64.17 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' PHE . 3.0 mp -33.97 -53.86 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -64.59 -42.37 95.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.646 ' HG3' HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -57.9 -51.38 69.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.42 ' HA ' HD21 ' A' ' 100' ' ' LEU . 20.9 mt-30 -53.19 -49.92 65.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -65.87 -36.08 82.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -64.58 -50.3 67.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.887 HD22 HD23 ' A' ' 99' ' ' LEU . 3.7 pp -71.51 -44.24 65.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.714 ' N ' HD12 ' A' ' 73' ' ' LEU . 14.1 mt-10 -49.28 -63.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.5 tpp85 -41.65 -54.84 3.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.584 HD22 ' NE2' ' A' ' 44' ' ' GLN . 95.3 mt -40.43 -40.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.748 HD13 HG11 ' A' ' 96' ' ' VAL . 32.7 tp -35.81 -39.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.517 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.9 pp0? -44.57 -49.32 10.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.786 ' OD1' HG13 ' A' ' 37' ' ' VAL . 7.7 m-20 -40.54 -37.2 0.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.542 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -82.11 -59.63 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.468 ' CE1' HD21 ' A' ' 77' ' ' LEU . 7.9 m170 -60.56 -8.73 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 78' ' ' GLN . 7.5 mt-10 -80.95 -65.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.509 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -104.8 -58.66 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.2 t -38.88 156.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 87' ' ' GLU . 14.6 m-20 -102.11 157.29 16.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.5 p -39.61 -27.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 85' ' ' ASP . 10.7 tp10 -69.16 -66.2 0.61 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -62.36 -38.59 90.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.526 HG12 HG23 ' A' ' 93' ' ' VAL . 89.9 t -57.2 -46.14 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.2 t -45.53 -41.87 10.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -60.34 -58.12 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.1 mm -57.93 -52.99 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.526 HG23 HG12 ' A' ' 89' ' ' VAL . 39.3 t -39.65 -47.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -54.17 -44.66 71.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.688 HD21 ' HB3' ' A' ' 25' ' ' TYR . 5.0 mp -65.32 -66.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.748 HG11 HD13 ' A' ' 77' ' ' LEU . 5.9 p -43.16 -35.9 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -76.34 -62.56 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 101' ' ' ILE . 10.7 mttm -44.48 -53.57 6.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.887 HD23 HD22 ' A' ' 73' ' ' LEU . 28.2 tp -39.92 -44.68 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.887 HD21 HD11 ' A' ' 73' ' ' LEU . 21.1 mt -71.19 -33.53 70.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 98' ' ' LYS . 14.5 mt -71.63 -26.23 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.468 HG21 ' HG ' ' A' ' 18' ' ' LEU . 17.7 mt -82.27 -63.13 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.566 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 18.4 pt -52.83 -37.23 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.8 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.861 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.1 ttt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.81 0.338 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -49.3 -58.29 5.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.05 -33.77 0.26 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.559 ' HB2' HG23 ' A' ' 102' ' ' ILE . 46.7 mtp85 -68.28 -58.31 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.42 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.3 mt -43.44 -38.98 3.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -56.84 -54.09 50.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -63.43 -33.93 76.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -55.07 -45.5 75.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.608 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.2 mt -76.99 -44.76 29.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.9 m -54.11 -25.17 20.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.52 -33.47 11.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.696 ' HB3' HD21 ' A' ' 95' ' ' LEU . 20.3 m-85 -117.45 76.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.76 115.37 35.21 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.714 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.197 0 C-N-CA 122.635 2.224 . . . . 0.0 112.367 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.501 HG12 ' HG3' ' A' ' 83' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.885 0.374 . . . . 0.0 111.169 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.743 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.3 tm? -35.91 -58.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.691 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -47.82 -37.9 15.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.495 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 37' ' ' VAL . 1.8 t80 -35.13 -45.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.868 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.483 HD11 ' HB2' ' A' ' 79' ' ' ASP . 13.5 mt -59.61 -68.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 41' ' ' ILE . 18.7 t-160 -36.69 -42.0 0.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -63.78 -49.18 73.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.823 HE22 HD22 ' A' ' 76' ' ' LEU . 11.9 mt-30 -61.42 -63.25 1.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.506 HG23 HD22 ' A' ' 99' ' ' LEU . 96.8 mt -44.43 -66.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.714 HG21 ' HD3' ' A' ' 27' ' ' PRO . 20.9 t -39.14 -42.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.84 -42.8 76.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 45' ' ' ILE . 14.7 mt -60.97 -46.68 89.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.608 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -50.27 -50.64 49.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -47.52 -53.07 15.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -47.45 -54.19 12.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' LYS . 3.9 t -43.15 -63.88 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.42 HD21 ' HB2' ' A' ' 18' ' ' LEU . 18.3 mt -38.38 -57.82 1.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.32 -34.23 32.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.677 ' CB ' HG13 ' A' ' 61' ' ' VAL . 28.5 mmtm -71.95 -66.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 t -42.79 -41.58 3.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.69 -37.7 62.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.526 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.421 ' HB2' HD21 ' A' ' 60' ' ' LEU . 3.4 mt-10 -105.58 4.68 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.5 t30 66.8 45.8 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.421 HD21 ' HB2' ' A' ' 58' ' ' GLU . 6.2 mt -97.82 -21.87 16.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.681 HG12 ' CE2' ' A' ' 65' ' ' TYR . 20.1 m -67.95 128.55 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.3 p -132.97 166.97 21.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.0 p -37.63 -57.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.412 ' HB2' ' NH1' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -54.94 -53.29 57.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.681 ' CE2' HG12 ' A' ' 61' ' ' VAL . 47.7 t80 -39.31 -48.92 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.524 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 22.0 m-85 -72.0 -63.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.5 mp -35.61 -57.25 0.64 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.2 -47.25 85.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.551 ' HG3' HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -51.73 -41.98 61.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -61.81 -54.05 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.93 -30.6 71.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -67.86 -52.03 41.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.879 HD22 HD23 ' A' ' 99' ' ' LEU . 3.6 pp -70.4 -46.19 64.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.733 ' N ' HD12 ' A' ' 73' ' ' LEU . 18.0 mt-10 -46.92 -63.24 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -40.65 -53.8 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.823 HD22 HE22 ' A' ' 44' ' ' GLN . 68.3 mt -43.15 -42.91 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.697 HD13 HG11 ' A' ' 96' ' ' VAL . 29.8 tp -35.57 -33.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' LEU . 4.1 pp0? -45.77 -51.21 13.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.483 ' HB2' HD11 ' A' ' 41' ' ' ILE . 7.8 m-20 -43.22 -41.18 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.588 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -75.44 -59.27 2.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.586 ' CE1' HD21 ' A' ' 77' ' ' LEU . 11.3 m170 -60.78 -8.71 3.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 78' ' ' GLN . 41.9 mm-40 -83.02 -68.86 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.501 ' HG3' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -99.5 -59.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.629 ' HB3' HG22 ' A' ' 89' ' ' VAL . 7.7 t -35.87 152.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' GLU . 1.0 OUTLIER -102.34 150.57 23.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 85' ' ' ASP . 85.7 p -34.09 -35.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 85' ' ' ASP . 18.2 tt0 -59.74 -65.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -66.56 -45.49 79.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.629 HG22 ' HB3' ' A' ' 84' ' ' SER . 64.1 t -46.65 -36.12 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.3 t -58.17 -42.41 85.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -56.52 -61.88 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 95' ' ' LEU . 11.4 mm -56.18 -52.56 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 89' ' ' VAL . 17.5 t -37.81 -48.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -51.99 -43.56 63.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.696 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.8 mp -66.78 -70.04 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.697 HG11 HD13 ' A' ' 77' ' ' LEU . 7.5 p -39.33 -35.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.469 ' HG2' ' N ' ' A' ' 98' ' ' LYS . 6.8 ttt180 -79.54 -64.42 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.469 ' N ' ' HG2' ' A' ' 97' ' ' ARG . 13.1 mttm -40.54 -52.26 2.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.879 HD23 HD22 ' A' ' 73' ' ' LEU . 34.9 tp -41.44 -49.85 3.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.723 HD21 HD11 ' A' ' 73' ' ' LEU . 18.5 mt -64.79 -30.11 71.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 98' ' ' LYS . 3.7 mt -75.97 -21.71 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.559 HG23 ' HB2' ' A' ' 17' ' ' ARG . 10.5 mt -92.24 -63.09 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.524 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 26.0 pt -49.09 -27.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.486 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.74 0.305 . . . . 0.0 110.837 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.486 ' N ' ' SD ' ' A' ' 14' ' ' MET . 65.8 mt-10 -42.03 -56.16 2.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.83 -36.6 8.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.54 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.564 ' HB2' HG23 ' A' ' 102' ' ' ILE . 69.5 mtp85 -63.55 -62.91 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.339 . . . . 0.0 110.843 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.621 ' HG ' HG21 ' A' ' 102' ' ' ILE . 2.8 mt -42.74 -35.1 1.04 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -59.5 -53.98 51.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -69.14 -29.79 67.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -55.08 -45.34 75.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.652 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.0 OUTLIER -78.34 -46.17 20.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.4 m -50.9 -25.4 4.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.22 -35.33 10.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.664 ' HB3' HD21 ' A' ' 95' ' ' LEU . 17.4 m-85 -113.9 67.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.897 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.24 121.28 39.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.585 0.707 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.252 . . . . 0.0 112.375 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.769 HG13 ' OD1' ' A' ' 79' ' ' ASP . 14.0 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.841 0.353 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.58 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.8 tm? -35.97 -50.65 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 41' ' ' ILE . . . -61.28 -40.88 99.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.518 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' VAL . 10.6 t80 -40.16 -27.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.641 HD11 ' CB ' ' A' ' 79' ' ' ASP . 10.8 mt -76.25 -54.96 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.178 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -52.98 -42.01 65.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -70.33 -40.63 74.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.563 ' NE2' HD22 ' A' ' 76' ' ' LEU . 16.8 mt-30 -65.71 -65.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.64 HG23 HD22 ' A' ' 99' ' ' LEU . 88.2 mt -47.43 -66.79 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -38.02 -40.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -69.9 -39.52 76.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 45' ' ' ILE . 13.8 mt -63.89 -46.62 84.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.652 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -48.74 -48.85 40.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -46.06 -50.54 15.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.42 -41.47 69.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.656 ' SG ' HG22 ' A' ' 103' ' ' ILE . 2.2 t -52.26 -58.48 6.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' A' ' 18' ' ' LEU . 42.4 mt -48.82 -57.04 7.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.65 -33.29 32.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.68 ' CB ' HG13 ' A' ' 61' ' ' VAL . 35.6 mmtt -71.75 -66.35 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 65.4 m -44.71 -39.72 5.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.52 -38.97 72.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -104.1 5.01 34.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 66.98 47.25 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 62' ' ' THR . 6.2 mt -97.5 -34.56 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.68 HG13 ' CB ' ' A' ' 55' ' ' LYS . 28.9 m -54.54 116.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 60' ' ' LEU . 61.9 p -120.9 160.18 23.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 62' ' ' THR . 22.4 p -34.86 -49.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -60.01 -52.19 66.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.66 ' CE2' HG12 ' A' ' 61' ' ' VAL . 23.3 t80 -40.7 -55.47 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 24.3 m-85 -63.71 -63.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' PHE . 4.4 mt -37.12 -49.44 0.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -70.41 -46.74 63.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.609 ' HG3' HD23 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -51.41 -52.67 44.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -53.28 -49.27 67.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.87 -28.91 67.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -72.04 -44.45 63.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.955 HD11 HD21 ' A' ' 100' ' ' LEU . 3.5 pp -78.05 -49.42 14.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.789 ' N ' HD12 ' A' ' 73' ' ' LEU . 16.4 mt-10 -43.78 -63.66 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 75' ' ' ARG . 0.7 OUTLIER -39.24 -56.22 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.563 HD22 ' NE2' ' A' ' 44' ' ' GLN . 80.1 mt -40.73 -39.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.891 HD13 HG11 ' A' ' 96' ' ' VAL . 28.1 tp -35.89 -39.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.52 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.8 pp0? -48.1 -49.22 32.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.769 ' OD1' HG13 ' A' ' 37' ' ' VAL . 5.8 m-20 -40.59 -38.38 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.56 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -80.88 -60.88 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -57.14 -11.63 1.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.8 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.13 -65.85 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.487 ' HD2' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -107.92 -47.91 3.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.699 ' HB3' HG22 ' A' ' 89' ' ' VAL . 8.2 t -46.04 143.02 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.614 ' O ' HG23 ' A' ' 89' ' ' VAL . 10.1 t70 -92.31 153.85 18.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 85' ' ' ASP . 71.6 p -37.26 -27.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 85' ' ' ASP . 46.4 mt-10 -67.56 -66.29 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -65.45 -36.83 85.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.699 HG22 ' HB3' ' A' ' 84' ' ' SER . 40.9 t -57.92 -44.65 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.3 t -48.41 -44.25 34.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -57.36 -63.12 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.41 ' HA ' HD13 ' A' ' 95' ' ' LEU . 17.0 mm -53.73 -48.49 60.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.449 HG23 HG12 ' A' ' 89' ' ' VAL . 12.9 t -41.63 -47.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -53.91 -44.17 70.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 25' ' ' TYR . 5.0 mp -64.13 -70.2 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.891 HG11 HD13 ' A' ' 77' ' ' LEU . 7.0 p -38.73 -36.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -77.98 -66.27 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 101' ' ' ILE . 10.3 mttm -40.44 -52.56 2.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.891 HD23 HD22 ' A' ' 73' ' ' LEU . 21.8 tp -42.75 -43.95 4.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.955 HD21 HD11 ' A' ' 73' ' ' LEU . 11.6 mt -72.18 -27.56 62.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 98' ' ' LYS . 5.6 mt -81.03 -19.6 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.621 HG21 ' HG ' ' A' ' 18' ' ' LEU . 19.0 mt -88.28 -61.62 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.656 HG22 ' SG ' ' A' ' 52' ' ' CYS . 14.7 pt -54.62 -26.76 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.491 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.748 0.308 . . . . 0.0 110.879 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.502 ' O ' HD21 ' A' ' 53' ' ' LEU . 11.6 mt-10 -42.32 -51.79 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.12 -40.37 43.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -62.39 -60.14 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.43 ' HG ' HG21 ' A' ' 102' ' ' ILE . 4.3 mt -38.7 -33.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -64.77 -50.94 64.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -68.15 -29.78 68.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -55.58 -44.64 77.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.703 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.1 mt -78.73 -44.75 22.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.3 m -55.71 -24.99 37.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.77 -39.5 10.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -114.4 63.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.19 125.47 35.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.54 0.686 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.618 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.794 HG13 ' OD1' ' A' ' 79' ' ' ASP . 10.4 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.858 0.361 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.634 ' C ' HD13 ' A' ' 38' ' ' LEU . 2.2 tm? -35.77 -61.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.591 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -53.49 -37.5 56.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' VAL . 7.2 t80 -39.32 -32.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.355 . . . . 0.0 110.918 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.578 HD11 ' N ' ' A' ' 80' ' ' ALA . 14.4 mt -70.63 -59.82 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.54 ' HB2' HD12 ' A' ' 92' ' ' ILE . 16.7 t-160 -47.82 -46.77 31.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -63.56 -47.58 80.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.516 ' NE2' HD22 ' A' ' 76' ' ' LEU . 15.1 mt-30 -60.78 -69.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.696 HG23 HD22 ' A' ' 99' ' ' LEU . 97.7 mt -41.06 -56.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.618 HG21 ' HD3' ' A' ' 27' ' ' PRO . 18.7 t -47.97 -39.63 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -70.4 -39.29 74.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.53 -50.55 69.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.703 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -43.84 -49.06 8.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -46.6 -51.81 14.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.23 -47.15 55.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 55' ' ' LYS . 6.2 t -46.38 -63.88 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.502 HD21 ' O ' ' A' ' 15' ' ' GLU . 47.8 mt -41.38 -57.97 2.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.25 -31.72 21.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.64 ' CB ' HG13 ' A' ' 61' ' ' VAL . 48.1 mmtt -76.44 -59.99 2.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.2 p -51.47 -37.3 48.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.13 -40.65 95.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.544 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -102.46 9.99 39.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.843 0.354 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.407 ' C ' HD23 ' A' ' 60' ' ' LEU . 77.5 m-20 61.66 49.84 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 60' ' ' LEU . 5.3 mt -99.92 -27.91 13.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.64 HG13 ' CB ' ' A' ' 55' ' ' LYS . 35.4 m -63.65 121.52 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 63' ' ' SER . 69.2 p -123.44 158.13 31.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.197 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 62' ' ' THR . 2.5 m -34.55 -51.99 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -58.65 -52.47 65.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.424 ' CE2' HG12 ' A' ' 61' ' ' VAL . 58.3 t80 -39.9 -62.32 0.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.583 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.6 m-85 -55.91 -59.05 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 mt -41.01 -52.63 3.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -69.15 -37.45 78.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.4 ttt -61.23 -35.48 77.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -64.75 -43.97 91.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -70.35 -36.46 74.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -62.92 -45.64 91.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.975 HD11 HD21 ' A' ' 100' ' ' LEU . 3.6 pp -77.08 -46.64 22.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.743 ' N ' HD12 ' A' ' 73' ' ' LEU . 12.5 mt-10 -48.13 -62.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -39.49 -55.78 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.516 HD22 ' NE2' ' A' ' 44' ' ' GLN . 91.8 mt -40.41 -41.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.783 HD13 HG11 ' A' ' 96' ' ' VAL . 20.9 tp -35.73 -39.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.543 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.5 pp0? -45.79 -49.49 15.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.794 ' OD1' HG13 ' A' ' 37' ' ' VAL . 5.9 m-20 -40.99 -37.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.578 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -80.98 -58.07 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.415 ' CD2' HG11 ' A' ' 89' ' ' VAL . 7.4 m170 -63.78 -7.42 7.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 78' ' ' GLN . 4.3 mm-40 -80.39 -64.18 1.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.559 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -107.62 -57.04 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.9 t -41.1 160.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.6 OUTLIER -105.77 154.16 20.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 85' ' ' ASP . 51.7 p -37.03 -28.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ASP . 3.6 tp10 -66.06 -64.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -64.3 -33.0 74.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.672 ' O ' HG23 ' A' ' 93' ' ' VAL . 60.5 t -65.15 -31.65 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.0 t -55.97 -44.74 78.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -61.86 -59.91 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.54 HD12 ' HB2' ' A' ' 42' ' ' HIS . 30.7 mm -54.47 -44.9 69.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 89' ' ' VAL . 15.2 t -45.72 -48.08 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -52.08 -44.32 64.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 mp -62.94 -70.97 0.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.783 HG11 HD13 ' A' ' 77' ' ' LEU . 6.8 p -39.41 -36.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -75.16 -65.42 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 101' ' ' ILE . 9.4 mttm -41.84 -53.82 3.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.904 HD23 HD22 ' A' ' 73' ' ' LEU . 25.4 tp -39.99 -46.54 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.975 HD21 HD11 ' A' ' 73' ' ' LEU . 14.2 mt -69.41 -30.58 68.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 98' ' ' LYS . 8.2 mt -78.28 -25.11 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.43 HG21 ' HG ' ' A' ' 18' ' ' LEU . 13.0 mt -86.31 -58.69 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.608 HG23 ' O ' ' A' ' 99' ' ' LEU . 24.4 pt -52.34 -26.52 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.81 -179.895 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 6.1 ttt . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.735 0.303 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 17' ' ' ARG . 15.6 mt-10 -45.48 -59.79 2.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -37.78 -30.56 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.513 ' HB2' HG23 ' A' ' 102' ' ' ILE . 61.2 mtp180 -74.47 -67.45 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.367 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.775 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.6 mt -37.11 -32.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' ARG . 67.9 mt-30 -62.59 -50.82 69.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 17' ' ' ARG . 13.4 tt0 -68.01 -29.83 68.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -57.26 -46.85 82.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.511 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.6 mt -74.24 -43.17 58.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.3 m -57.91 -21.57 44.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.82 -19.54 15.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.728 ' HB3' HD21 ' A' ' 95' ' ' LEU . 23.4 m-85 -134.13 89.2 2.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.86 123.05 20.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.744 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.322 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.746 HG11 ' HD3' ' A' ' 83' ' ' ARG . 4.3 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.614 ' C ' HD13 ' A' ' 38' ' ' LEU . 2.0 tm? -35.92 -51.08 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.55 -39.38 94.94 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.466 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 37' ' ' VAL . 11.0 t80 -42.36 -27.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.899 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.599 HD11 ' HB2' ' A' ' 79' ' ' ASP . 10.4 mt -75.24 -54.0 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 -51.78 -44.84 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -65.84 -48.02 73.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.818 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.442 HE22 HD22 ' A' ' 76' ' ' LEU . 24.7 mt-30 -59.35 -59.34 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.556 HG23 HD22 ' A' ' 99' ' ' LEU . 79.6 mt -51.79 -67.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.744 HG21 ' HD3' ' A' ' 27' ' ' PRO . 12.5 t -35.61 -44.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -66.66 -42.57 86.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 45' ' ' ILE . 11.8 mt -59.14 -49.36 78.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.511 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -46.9 -46.33 21.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 50' ' ' ARG . 5.7 mmm180 -50.69 -50.65 54.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -48.79 -55.31 11.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.494 ' SG ' HG22 ' A' ' 103' ' ' ILE . 2.3 t -41.72 -62.91 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.775 HD21 ' HB2' ' A' ' 18' ' ' LEU . 62.6 mt -44.15 -59.55 2.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.8 -33.1 15.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.716 ' HB2' HG13 ' A' ' 61' ' ' VAL . 15.1 mmmt -75.88 -62.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 p -48.63 -40.99 29.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.11 -29.4 52.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.06 0.23 14.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.4 t30 71.23 42.77 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.413 HD23 ' N ' ' A' ' 60' ' ' LEU . 6.5 mt -93.95 -21.78 18.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.716 HG13 ' HB2' ' A' ' 55' ' ' LYS . 18.9 m -68.93 128.66 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 63' ' ' SER . 80.6 p -124.25 154.64 39.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 62' ' ' THR . 40.4 t -35.01 -45.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.463 ' NE ' ' HA ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -66.48 -52.29 47.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.495 ' CE2' HG12 ' A' ' 61' ' ' VAL . 85.3 t80 -35.04 -54.6 0.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 25.4 m-85 -60.79 -64.22 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.7 mp -35.01 -47.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 14.2 mm-40 -71.12 -39.73 71.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 66' ' ' PHE . 8.2 ttt -62.84 -55.85 22.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.601 HE21 HD22 ' A' ' 100' ' ' LEU . 19.0 mt-30 -44.89 -43.49 8.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 6.1 pt-20 -75.83 -32.07 59.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 32.0 mttm -66.27 -30.1 70.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.062 HD22 HD23 ' A' ' 99' ' ' LEU . 4.2 pp -96.54 -36.44 10.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.607 ' N ' HD12 ' A' ' 73' ' ' LEU . 13.7 mt-10 -57.33 -54.93 41.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -48.41 -56.16 8.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.442 HD22 HE22 ' A' ' 44' ' ' GLN . 91.1 mt -41.01 -40.81 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.847 HD13 HG11 ' A' ' 96' ' ' VAL . 32.0 tp -35.92 -38.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.519 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.8 pp0? -45.49 -49.7 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.657 ' OD1' HG13 ' A' ' 37' ' ' VAL . 6.6 m-20 -40.54 -39.18 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.598 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -79.92 -58.06 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.52 ' CE1' HD21 ' A' ' 77' ' ' LEU . 10.1 m170 -58.78 -11.09 2.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -84.43 -69.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.746 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -94.88 -53.16 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.703 ' HB3' HG22 ' A' ' 89' ' ' VAL . 3.9 t -50.19 155.66 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' GLU . 1.1 m-20 -107.78 153.06 23.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 85' ' ' ASP . 24.9 p -35.12 -31.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ASP . 7.1 tp10 -66.33 -65.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -62.76 -43.44 98.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.942 HG12 HG23 ' A' ' 93' ' ' VAL . 35.2 t -54.14 -45.57 66.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.5 t -39.7 -38.8 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -64.79 -58.06 7.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 95' ' ' LEU . 20.6 mm -60.47 -53.91 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.942 HG23 HG12 ' A' ' 89' ' ' VAL . 10.5 t -37.51 -42.09 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -58.98 -44.09 91.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.728 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.6 mp -64.13 -63.85 1.04 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.847 HG11 HD13 ' A' ' 77' ' ' LEU . 4.0 p -45.03 -36.6 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -75.8 -63.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 101' ' ' ILE . 10.1 mttm -43.64 -48.63 7.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 1.062 HD23 HD22 ' A' ' 73' ' ' LEU . 15.3 tp -46.39 -40.37 11.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.806 HD21 HD11 ' A' ' 73' ' ' LEU . 10.3 mt -75.24 -23.32 57.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 98' ' ' LYS . 6.9 mt -84.53 -21.75 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.655 HG21 ' HG ' ' A' ' 18' ' ' LEU . 15.4 mt -86.22 -62.88 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 21.3 pt -53.87 -34.0 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 103' ' ' ILE . 22.1 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.421 ' CE ' ' HA ' ' A' ' 103' ' ' ILE . 6.7 ttt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.746 0.308 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -47.23 -50.71 20.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.72 -41.1 12.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.462 ' HB2' HG23 ' A' ' 102' ' ' ILE . 61.0 mtt-85 -63.33 -57.57 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.856 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.507 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.8 mt -39.68 -38.71 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -61.24 -51.33 69.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -65.62 -31.6 72.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -56.7 -45.58 81.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.1 mt -78.09 -46.62 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.1 m -50.05 -25.91 3.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.51 -40.01 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.072 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.755 ' HB3' HD21 ' A' ' 95' ' ' LEU . 14.7 m-85 -112.72 76.79 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.81 124.13 29.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 111.094 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.656 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.154 0 C-N-CA 122.682 2.254 . . . . 0.0 112.388 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.729 HG13 ' OD1' ' A' ' 79' ' ' ASP . 13.7 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.881 0.372 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.643 ' C ' HD13 ' A' ' 38' ' ' LEU . 2.1 tm? -36.67 -50.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.49 -37.66 95.05 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.414 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' VAL . 8.6 t80 -40.36 -34.13 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.619 HD11 ' HB2' ' A' ' 79' ' ' ASP . 14.1 mt -67.84 -60.69 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -47.25 -44.24 22.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.82 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -66.23 -43.81 85.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.424 ' NE2' HD22 ' A' ' 76' ' ' LEU . 8.3 mt-30 -64.14 -63.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.778 HG23 HD22 ' A' ' 99' ' ' LEU . 77.1 mt -46.03 -67.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.656 HG21 ' HD3' ' A' ' 27' ' ' PRO . 14.2 t -36.49 -45.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -65.18 -41.41 94.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 45' ' ' ILE . 16.6 mt -62.67 -51.87 65.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.575 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -45.09 -51.24 10.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -47.06 -53.52 12.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.2 -51.42 18.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.6 t -47.37 -55.1 9.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.507 HD21 ' HB2' ' A' ' 18' ' ' LEU . 21.8 mt -43.81 -62.7 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.13 -36.49 8.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.722 ' HB2' HG13 ' A' ' 61' ' ' VAL . 16.8 mmtp -69.16 -64.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.0 m -43.21 -42.8 4.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.0 -37.7 54.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.415 ' HB2' HD21 ' A' ' 60' ' ' LEU . 12.1 mm-40 -105.49 0.39 26.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 68.7 46.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.437 HD23 ' N ' ' A' ' 60' ' ' LEU . 5.9 mt -95.96 -24.95 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.722 HG13 ' HB2' ' A' ' 55' ' ' LYS . 18.9 m -65.34 123.98 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.155 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' SER . 44.7 p -123.88 161.28 25.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 62' ' ' THR . 22.2 p -35.1 -51.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' TYR . 5.0 tpt85 -58.61 -57.32 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.621 ' CE2' HG12 ' A' ' 61' ' ' VAL . 61.6 t80 -35.32 -48.85 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 20.5 m-85 -69.0 -63.69 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.4 mp -35.17 -47.2 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -72.19 -51.37 21.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.539 ' HG3' HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -47.88 -49.08 30.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -53.25 -45.3 68.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -71.16 -36.27 71.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -62.54 -41.71 99.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.008 HD22 HD23 ' A' ' 99' ' ' LEU . 3.8 pp -83.46 -43.16 16.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.681 ' N ' HD12 ' A' ' 73' ' ' LEU . 17.7 mt-10 -48.87 -64.36 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -40.58 -57.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 73' ' ' LEU . 83.9 mt -39.09 -40.61 0.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.888 HD13 HG11 ' A' ' 96' ' ' VAL . 32.3 tp -35.6 -41.42 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.533 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 5.1 pp0? -43.49 -48.52 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.729 ' OD1' HG13 ' A' ' 37' ' ' VAL . 5.2 m-20 -39.61 -38.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.531 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -82.9 -57.03 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.434 ' CD2' ' CG1' ' A' ' 89' ' ' VAL . 7.9 m170 -62.36 -7.95 5.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 78' ' ' GLN . 52.1 mm-40 -84.09 -62.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.645 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -106.15 -58.82 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.557 ' HB3' HG22 ' A' ' 89' ' ' VAL . 24.3 t -40.64 152.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.737 ' O ' HG23 ' A' ' 89' ' ' VAL . 8.5 t70 -97.77 157.79 15.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.0 p -40.12 -24.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 85' ' ' ASP . 2.9 mp0 -71.83 -66.34 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -63.5 -36.22 83.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 85' ' ' ASP . 21.7 t -60.29 -38.61 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.6 t -50.61 -48.55 57.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -54.61 -62.38 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.4 mm -52.53 -48.86 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 89' ' ' VAL . 49.9 t -42.67 -52.98 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -48.81 -45.35 40.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.755 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.8 mp -63.79 -72.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.888 HG11 HD13 ' A' ' 77' ' ' LEU . 6.0 p -38.58 -36.7 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -74.8 -64.51 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 101' ' ' ILE . 9.4 mttm -43.33 -51.09 6.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 1.008 HD23 HD22 ' A' ' 73' ' ' LEU . 31.0 tp -42.25 -46.14 4.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.006 HD21 HD11 ' A' ' 73' ' ' LEU . 12.2 mt -70.81 -27.18 63.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 98' ' ' LYS . 17.1 mt -77.45 -29.51 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.462 HG23 ' HB2' ' A' ' 17' ' ' ARG . 9.9 mt -81.02 -63.2 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.568 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 25.7 pt -51.27 -28.63 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' ARG . 5.6 ttt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.743 0.306 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.573 ' O ' HD21 ' A' ' 53' ' ' LEU . 20.5 mt-10 -38.58 -48.18 1.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.37 -38.54 62.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' MET . 73.9 mtt-85 -64.56 -57.44 9.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.855 0.359 . . . . 0.0 110.82 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mt -39.91 -40.36 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -58.02 -54.38 47.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -65.1 -32.55 74.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -54.83 -44.35 73.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.714 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.1 mt -78.02 -47.86 17.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.6 m -50.5 -26.1 4.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.39 -35.11 11.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.668 ' HB3' HD21 ' A' ' 95' ' ' LEU . 19.4 m-85 -114.3 69.31 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -110.76 121.87 39.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.68 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.176 0 C-N-CA 122.727 2.285 . . . . 0.0 112.283 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.711 HG13 ' OD1' ' A' ' 79' ' ' ASP . 4.8 t . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.879 0.371 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.645 HD13 ' N ' ' A' ' 39' ' ' GLY . 1.5 tm? -35.7 -58.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.645 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -56.1 -35.43 64.51 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.547 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 37' ' ' VAL . 6.1 t80 -40.74 -26.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.328 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.546 HD11 ' N ' ' A' ' 80' ' ' ALA . 10.1 mt -79.34 -55.17 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.693 ' O ' HG23 ' A' ' 46' ' ' VAL . 21.0 t-160 -49.57 -50.07 43.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -62.29 -49.34 76.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.683 HE22 HD22 ' A' ' 76' ' ' LEU . 15.0 mt-30 -56.73 -64.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.653 HG23 HD22 ' A' ' 99' ' ' LEU . 96.0 mt -48.23 -59.27 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 42' ' ' HIS . 55.4 t -41.76 -35.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -75.23 -40.37 59.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.2 mt -60.45 -46.94 88.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.714 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -49.1 -52.86 23.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -47.26 -52.86 14.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -46.61 -48.22 19.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 55' ' ' LYS . 4.1 t -51.12 -62.58 1.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.573 HD21 ' O ' ' A' ' 15' ' ' GLU . 18.3 mt -36.48 -59.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.92 -38.56 61.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.713 ' CB ' HG13 ' A' ' 61' ' ' VAL . 21.3 mmtm -64.83 -60.86 2.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.0 m -49.38 -42.24 41.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.26 -37.41 59.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -107.22 10.14 29.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.4 ' C ' HD23 ' A' ' 60' ' ' LEU . 5.0 m120 60.37 52.69 4.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.531 ' O ' HG23 ' A' ' 62' ' ' THR . 7.0 mt -103.41 -27.84 12.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.872 HG12 ' CE2' ' A' ' 65' ' ' TYR . 18.1 m -61.58 108.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 60' ' ' LEU . 35.2 p -115.54 164.37 14.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 62' ' ' THR . 14.4 t -34.45 -62.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -49.02 -49.1 42.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.872 ' CE2' HG12 ' A' ' 61' ' ' VAL . 35.7 t80 -43.49 -58.43 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.576 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.8 m-85 -63.79 -60.81 2.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' PHE . 14.1 mt -37.56 -53.33 1.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.48 -37.71 74.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -58.48 -37.98 76.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -69.68 -44.59 70.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -71.4 -26.59 62.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -72.97 -38.82 66.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.983 HD22 HD23 ' A' ' 99' ' ' LEU . 3.8 pp -86.44 -46.65 10.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.725 ' N ' HD12 ' A' ' 73' ' ' LEU . 16.4 mt-10 -44.04 -61.11 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -44.23 -53.96 6.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.683 HD22 HE22 ' A' ' 44' ' ' GLN . 85.8 mt -42.19 -40.39 2.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.78 HD13 HG11 ' A' ' 96' ' ' VAL . 30.9 tp -35.97 -35.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.522 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.5 pp0? -49.24 -49.69 42.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.711 ' OD1' HG13 ' A' ' 37' ' ' VAL . 9.0 m-20 -41.02 -34.77 0.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.837 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.562 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -84.97 -59.7 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.478 ' CE1' HD21 ' A' ' 77' ' ' LEU . 8.0 m170 -60.82 -8.9 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' GLN . 11.1 mm-40 -82.84 -68.18 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.63 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -101.02 -51.7 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.729 ' HB3' HG22 ' A' ' 89' ' ' VAL . 4.7 t -45.94 152.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.76 ' O ' HG23 ' A' ' 89' ' ' VAL . 27.1 t0 -99.65 154.29 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.486 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 16.2 m -38.59 -26.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 85' ' ' ASP . 28.4 tt0 -69.39 -66.05 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.55 -37.52 87.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 85' ' ' ASP . 17.9 t -58.3 -35.99 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.5 t -53.64 -47.81 69.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -55.16 -59.84 4.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.9 mm -56.09 -53.38 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.527 HG23 HG12 ' A' ' 89' ' ' VAL . 12.6 t -37.8 -46.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -53.84 -46.41 71.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.668 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.5 mp -62.83 -72.49 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.78 HG11 HD13 ' A' ' 77' ' ' LEU . 5.3 p -36.36 -36.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -76.07 -66.69 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 101' ' ' ILE . 8.7 mttm -41.77 -49.86 4.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.983 HD23 HD22 ' A' ' 73' ' ' LEU . 18.6 tp -42.51 -47.61 5.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.808 HD21 HD11 ' A' ' 73' ' ' LEU . 10.8 mt -69.58 -25.38 63.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 98' ' ' LYS . 6.7 mt -82.26 -18.99 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.8 mt -92.93 -63.17 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.576 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 28.9 pt -48.6 -26.29 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.882 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.579 ' SD ' HD12 ' A' ' 18' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.761 0.315 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.472 ' CG ' ' HB3' ' A' ' 56' ' ' SER . 20.5 mt-10 -37.38 -60.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.47 -40.91 3.9 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.431 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 18' ' ' LEU . 59.6 mtt-85 -64.12 -60.77 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.87 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.579 HD12 ' SD ' ' A' ' 14' ' ' MET . 9.5 mt -36.14 -38.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -60.52 -51.91 67.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 17' ' ' ARG . 8.9 tt0 -62.87 -30.1 71.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -61.04 -45.21 95.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.566 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.5 mt -75.94 -42.25 49.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.1 m -55.43 -22.28 19.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.55 -35.63 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.765 ' HB3' HD21 ' A' ' 95' ' ' LEU . 17.6 m-85 -118.2 92.54 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.76 129.85 23.48 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.789 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.136 0 C-N-CA 122.711 2.274 . . . . 0.0 112.314 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.689 HG13 ' OD1' ' A' ' 79' ' ' ASP . 9.6 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.78 0.324 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.549 ' C ' HD13 ' A' ' 38' ' ' LEU . 2.2 tm? -35.95 -53.25 0.76 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.77 -37.87 93.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.491 ' CD2' ' NE2' ' A' ' 44' ' ' GLN . 22.7 t80 -40.03 -29.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 110.878 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.611 HD11 ' HB2' ' A' ' 79' ' ' ASP . 8.1 mt -74.94 -53.94 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -51.67 -43.66 62.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -68.39 -43.07 78.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.491 ' NE2' ' CD2' ' A' ' 40' ' ' PHE . 14.2 mt-30 -65.03 -64.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.651 HG23 HD22 ' A' ' 99' ' ' LEU . 89.1 mt -45.56 -59.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.789 HG21 ' HD3' ' A' ' 27' ' ' PRO . 15.1 t -43.69 -41.23 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.71 -44.77 76.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.2 mt -60.64 -34.82 74.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.566 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -60.48 -49.45 77.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -50.83 -50.02 57.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -51.31 -47.92 62.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.8 t -50.59 -48.14 57.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.431 HD21 ' HB2' ' A' ' 18' ' ' LEU . 20.4 mt -50.8 -62.62 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.19 -34.77 6.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.664 ' HB2' HG13 ' A' ' 61' ' ' VAL . 17.4 mmtp -69.24 -56.59 7.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.472 ' HB3' ' CG ' ' A' ' 15' ' ' GLU . 3.5 m -50.11 -41.55 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.435 ' N ' ' OE2' ' A' ' 15' ' ' GLU . . . -55.53 -41.2 80.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.497 ' HB2' HD21 ' A' ' 60' ' ' LEU . 3.3 mt-10 -99.13 -2.29 37.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 110.883 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.42 ' C ' HD23 ' A' ' 60' ' ' LEU . 19.3 t-20 69.42 50.17 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 58' ' ' GLU . 5.0 mt -99.47 -22.42 15.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.842 HG12 ' CE2' ' A' ' 65' ' ' TYR . 28.7 m -68.29 116.59 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 63' ' ' SER . 73.6 p -122.31 164.7 17.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.147 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 62' ' ' THR . 44.3 t -34.91 -51.83 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 65' ' ' TYR . 9.9 tpt180 -60.26 -57.39 12.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.842 ' CE2' HG12 ' A' ' 61' ' ' VAL . 29.0 t80 -35.9 -56.07 0.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.47 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 22.7 m-85 -59.88 -59.23 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PHE . 3.5 mt -37.3 -60.83 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -57.04 -50.83 71.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.538 ' HG3' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -49.55 -34.91 18.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.407 ' CG ' HD22 ' A' ' 100' ' ' LEU . 21.4 mt-30 -70.02 -45.79 66.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -70.04 -27.09 64.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -75.2 -38.66 60.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.807 HD22 HD23 ' A' ' 99' ' ' LEU . 4.3 pp -84.84 -34.3 22.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.578 ' N ' HD12 ' A' ' 73' ' ' LEU . 12.3 mt-10 -58.92 -56.96 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -48.75 -55.13 12.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.447 HD22 HE22 ' A' ' 44' ' ' GLN . 95.7 mt -41.94 -39.97 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.757 HD13 HG11 ' A' ' 96' ' ' VAL . 32.3 tp -36.28 -39.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.541 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 5.2 pp0? -44.34 -48.2 9.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.689 ' OD1' HG13 ' A' ' 37' ' ' VAL . 5.4 m-20 -39.7 -39.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.559 ' HB1' HG13 ' A' ' 89' ' ' VAL . . . -84.43 -55.89 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.105 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.682 ' CE1' HD21 ' A' ' 77' ' ' LEU . 10.8 m170 -60.45 -9.43 3.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 78' ' ' GLN . 12.2 mt-10 -86.29 -63.04 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.583 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -101.2 -65.64 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.8 ' HB3' HG22 ' A' ' 89' ' ' VAL . 8.8 t -35.67 148.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.658 ' O ' HG23 ' A' ' 89' ' ' VAL . 10.7 m-20 -95.47 152.47 18.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 85' ' ' ASP . 13.6 t -32.48 -35.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -64.83 -66.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.429 ' CB ' ' OG ' ' A' ' 84' ' ' SER . 17.1 mp0 -59.86 -38.74 83.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.8 HG22 ' HB3' ' A' ' 84' ' ' SER . 6.5 t -64.38 -35.86 75.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.6 m -55.81 -25.95 44.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -76.1 -54.02 7.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.6 mm -62.31 -48.64 87.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.532 HG23 HG12 ' A' ' 89' ' ' VAL . 10.7 t -39.86 -41.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -57.96 -45.59 86.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.765 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.6 mp -61.88 -68.85 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.757 HG11 HD13 ' A' ' 77' ' ' LEU . 7.6 p -41.22 -36.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -73.58 -61.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 101' ' ' ILE . 12.5 mttm -45.07 -53.61 7.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.807 HD23 HD22 ' A' ' 73' ' ' LEU . 19.6 tp -40.78 -41.26 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.75 HD21 HD11 ' A' ' 73' ' ' LEU . 34.6 mt -73.59 -31.23 63.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.49 ' N ' ' O ' ' A' ' 98' ' ' LYS . 8.6 mt -77.95 -20.78 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.5 mt -90.49 -58.4 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.669 HG23 ' O ' ' A' ' 99' ' ' LEU . 12.4 pt -57.25 -29.08 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.877 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' GLU . 6.0 ttt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.765 0.317 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' MET . 43.4 mt-10 -38.31 -59.31 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -40.78 -37.35 1.3 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -67.69 -60.73 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.825 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.568 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.2 mt -40.43 -33.08 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -64.08 -49.61 71.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -64.75 -30.05 71.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -60.58 -49.29 78.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.697 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.7 mt -72.8 -43.58 62.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.0 m -56.26 -21.6 24.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.35 -28.32 12.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.606 ' HB3' HD21 ' A' ' 95' ' ' LEU . 20.9 m-85 -122.48 87.5 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.19 127.68 21.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 111.076 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.569 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.517 HG13 ' CG ' ' A' ' 79' ' ' ASP . 2.3 t . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.832 0.349 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.687 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.7 tm? -45.08 -42.77 8.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.15 -29.12 72.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -54.63 -24.43 21.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.615 HD11 ' CB ' ' A' ' 79' ' ' ASP . 7.1 mt -75.23 -49.96 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -53.66 -49.65 67.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -60.73 -44.17 96.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.619 HE22 HD22 ' A' ' 76' ' ' LEU . 11.7 mt-30 -62.13 -58.92 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.538 HG23 HD22 ' A' ' 99' ' ' LEU . 63.7 mt -52.58 -61.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.569 HG21 ' HD3' ' A' ' 27' ' ' PRO . 22.0 t -41.33 -35.35 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.29 -36.95 53.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.5 mt -64.64 -45.43 86.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.697 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -51.95 -47.22 64.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.072 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 43.1 mtp85 -50.17 -50.52 48.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -49.17 -46.87 46.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.5 t -52.19 -49.35 64.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.568 HD21 ' HB2' ' A' ' 18' ' ' LEU . 35.5 mt -54.06 -56.45 17.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.7 -37.52 63.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.734 ' CB ' HG13 ' A' ' 61' ' ' VAL . 26.0 mmtm -66.62 -62.73 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.2 t -49.52 -42.77 44.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -52.43 -24.44 16.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -119.83 -0.61 10.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 t30 73.57 39.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 mt -90.97 -24.47 20.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.734 HG13 ' CB ' ' A' ' 55' ' ' LYS . 21.0 m -68.35 121.68 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.145 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 63' ' ' SER . 62.1 p -120.25 156.73 30.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.686 ' O ' HD23 ' A' ' 67' ' ' LEU . 32.0 t -36.19 -44.02 0.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 65' ' ' TYR . 11.5 tpp180 -68.72 -51.86 36.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.581 ' CE2' HG12 ' A' ' 61' ' ' VAL . 86.3 t80 -35.54 -53.89 0.68 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 69' ' ' MET . 23.5 m-85 -61.09 -60.05 4.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 63' ' ' SER . 3.5 mm? -34.32 -54.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -66.18 -37.53 85.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 66' ' ' PHE . 19.8 ttt -63.28 -33.54 75.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -68.57 -32.91 73.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -84.26 -26.74 28.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -73.48 -29.05 62.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.835 HD11 HD21 ' A' ' 100' ' ' LEU . 4.0 pp -94.39 -42.24 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.967 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.689 ' N ' HD12 ' A' ' 73' ' ' LEU . 17.1 mt-10 -55.27 -57.1 13.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -45.68 -55.34 6.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.619 HD22 HE22 ' A' ' 44' ' ' GLN . 95.9 mt -42.58 -41.42 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.803 HD13 HG11 ' A' ' 96' ' ' VAL . 26.4 tp -35.78 -35.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.474 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.2 pp0? -47.49 -52.14 18.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.615 ' CB ' HD11 ' A' ' 41' ' ' ILE . 9.9 m-20 -43.51 -29.53 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.591 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -88.75 -55.42 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.083 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.502 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 13.1 m170 -62.65 -7.78 5.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -86.0 -61.48 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.485 ' O ' ' C ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -102.16 -73.39 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.853 ' OG ' HG22 ' A' ' 89' ' ' VAL . 5.1 p -31.11 144.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.813 ' O ' HG23 ' A' ' 89' ' ' VAL . 0.6 OUTLIER -94.69 158.43 15.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 85' ' ' ASP . 40.8 t -36.24 -28.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 85' ' ' ASP . 3.0 tp10 -71.16 -60.73 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -65.54 -29.26 69.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.9 HG12 HG23 ' A' ' 93' ' ' VAL . 15.7 t -65.17 -48.43 83.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.161 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 89' ' ' VAL . 8.6 t -36.93 -48.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -52.58 -66.98 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 93' ' ' VAL . 5.4 mm -54.7 -57.97 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.9 HG23 HG12 ' A' ' 89' ' ' VAL . 7.7 t -35.79 -51.05 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.062 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -51.43 -47.19 63.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.606 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.1 mp -63.7 -70.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.803 HG11 HD13 ' A' ' 77' ' ' LEU . 3.0 p -36.1 -37.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.617 HH11 HD11 ' A' ' 101' ' ' ILE . 7.7 ttm-85 -77.85 -61.79 1.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 101' ' ' ILE . 27.4 mttp -44.07 -48.89 8.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.702 HD23 HD22 ' A' ' 73' ' ' LEU . 13.4 tp -45.02 -44.99 10.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.835 HD21 HD11 ' A' ' 73' ' ' LEU . 10.2 mt -71.17 -24.2 62.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.617 HD11 HH11 ' A' ' 97' ' ' ARG . 10.0 mt -80.67 -19.25 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.6 mt -93.87 -63.05 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.554 HG23 ' O ' ' A' ' 99' ' ' LEU . 6.2 pt -50.35 -30.8 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.161 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.887 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.8 ttp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.767 0.318 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -44.64 -57.39 3.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.59 -40.52 11.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -63.35 -55.74 22.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.565 ' HG ' HG21 ' A' ' 102' ' ' ILE . 3.9 mt -46.89 -32.34 3.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -63.9 -56.85 12.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -59.72 -31.47 69.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -55.98 -46.77 78.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.513 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.7 mt -75.31 -46.35 33.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.0 m -52.21 -23.29 5.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.46 -30.68 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.665 ' HB3' HD21 ' A' ' 95' ' ' LEU . 19.2 m-85 -123.09 100.65 6.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -149.17 138.22 12.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.554 0.692 . . . . 0.0 111.102 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.301 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.733 HG13 ' OD1' ' A' ' 79' ' ' ASP . 4.5 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.879 0.371 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.548 ' C ' HD13 ' A' ' 38' ' ' LEU . 2.3 tm? -39.96 -47.39 2.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' ILE . . . -64.48 -39.63 97.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.446 ' CD2' ' NE2' ' A' ' 44' ' ' GLN . 40.5 t80 -40.6 -24.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.626 HD11 ' CB ' ' A' ' 79' ' ' ASP . 6.4 mt -81.44 -49.78 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -55.79 -47.88 76.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -62.47 -46.33 88.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.723 HE22 HD22 ' A' ' 76' ' ' LEU . 14.7 mt-30 -59.36 -66.78 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.553 HG23 HD22 ' A' ' 99' ' ' LEU . 96.6 mt -45.26 -67.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.413 HG21 ' HD3' ' A' ' 27' ' ' PRO . 17.5 t -37.21 -38.85 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -74.01 -39.99 63.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 45' ' ' ILE . 13.2 mt -61.92 -52.36 64.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.513 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -43.16 -47.02 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.058 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.4 mtp85 -48.05 -51.0 26.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.08 -48.91 43.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 t -51.23 -47.77 62.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.4 mt -53.22 -59.54 4.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.04 -35.77 59.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.733 ' CB ' HG13 ' A' ' 61' ' ' VAL . 25.6 mmtm -69.63 -67.37 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.3 t -44.69 -40.22 5.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.05 -35.23 53.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.448 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -111.08 8.43 21.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 65.32 46.22 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mt -96.86 -21.06 17.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.733 HG13 ' CB ' ' A' ' 55' ' ' LYS . 26.5 m -73.75 128.12 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' SER . 43.8 p -129.34 165.87 20.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.413 ' O ' HD12 ' A' ' 67' ' ' LEU . 13.2 t -36.72 -58.61 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 65' ' ' TYR . 7.9 tpt180 -53.61 -56.89 13.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.658 ' CE2' HG12 ' A' ' 61' ' ' VAL . 85.1 t80 -35.01 -52.2 0.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.489 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 23.6 m-85 -67.86 -61.04 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.6 mp -34.75 -49.67 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -72.59 -52.87 13.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.6 ttt -44.71 -41.32 6.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -61.53 -45.84 92.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -72.52 -26.43 61.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -73.36 -35.83 66.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.05 HD22 HD23 ' A' ' 99' ' ' LEU . 4.3 pp -90.41 -36.98 14.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.701 ' N ' HD12 ' A' ' 73' ' ' LEU . 13.7 mt-10 -56.52 -61.37 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -41.81 -52.4 4.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.723 HD22 HE22 ' A' ' 44' ' ' GLN . 71.0 mt -43.48 -43.69 5.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.879 HD13 HG11 ' A' ' 96' ' ' VAL . 17.4 tp -36.14 -34.3 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.534 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 5.0 pp0? -48.13 -51.17 25.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.733 ' OD1' HG13 ' A' ' 37' ' ' VAL . 4.8 m-20 -40.44 -38.7 0.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.579 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -78.66 -58.79 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -61.34 -8.18 3.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' GLN . 2.8 mm-40 -85.6 -54.28 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.635 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -112.8 -63.59 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 83' ' ' ARG . 23.1 t -37.18 155.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.841 ' O ' HG23 ' A' ' 89' ' ' VAL . 23.7 m-20 -102.85 152.48 21.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.7 p -38.59 -26.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 85' ' ' ASP . 7.4 pt-20 -69.32 -56.91 6.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -73.48 -30.45 63.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.869 HG12 HG23 ' A' ' 93' ' ' VAL . 16.2 t -59.25 -48.22 87.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 89' ' ' VAL . 18.5 t -37.21 -50.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.804 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -52.57 -67.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 93' ' ' VAL . 4.7 mm -52.83 -57.09 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.869 HG23 HG12 ' A' ' 89' ' ' VAL . 4.1 t -36.18 -49.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -53.42 -48.17 68.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.665 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.5 mp -59.17 -69.2 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.879 HG11 HD13 ' A' ' 77' ' ' LEU . 2.7 p -39.54 -38.44 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.634 ' HE ' HD11 ' A' ' 101' ' ' ILE . 4.7 ttt180 -73.07 -66.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 101' ' ' ILE . 12.9 mttm -40.18 -54.47 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 1.05 HD23 HD22 ' A' ' 73' ' ' LEU . 14.9 tp -40.09 -45.43 1.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.798 HD21 HD11 ' A' ' 73' ' ' LEU . 10.8 mt -71.0 -32.4 69.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.634 HD11 ' HE ' ' A' ' 97' ' ' ARG . 3.0 mt -73.94 -23.44 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.565 HG21 ' HG ' ' A' ' 18' ' ' LEU . 12.8 mt -87.89 -60.85 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.655 HG23 ' O ' ' A' ' 99' ' ' LEU . 6.2 pt -53.59 -27.55 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.9 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.857 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.8 ttt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.752 0.31 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -46.48 -48.56 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.05 -29.44 35.64 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HB2' HG23 ' A' ' 102' ' ' ILE . 70.5 mtp180 -72.43 -61.27 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.526 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.4 mt -37.49 -34.93 0.11 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -62.86 -55.69 24.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -61.61 -31.57 71.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -56.47 -47.25 79.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.583 HD13 ' HD3' ' A' ' 50' ' ' ARG . 1.4 mt -75.83 -47.12 26.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.5 m -49.75 -23.25 1.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.81 -32.9 10.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.64 ' HB3' HD21 ' A' ' 95' ' ' LEU . 17.4 m-85 -113.66 71.56 0.75 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.3 120.5 36.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.446 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.495 HG12 ' HG3' ' A' ' 83' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.858 0.361 . . . . 0.0 111.12 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.735 ' C ' HD13 ' A' ' 38' ' ' LEU . 2.4 tm? -37.1 -54.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.78 -36.53 55.3 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 37' ' ' VAL . 4.9 t80 -45.34 -31.59 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.718 HD11 ' HB2' ' A' ' 79' ' ' ASP . 12.2 mt -74.5 -57.12 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -48.14 -48.99 33.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -63.26 -47.55 81.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.715 HE22 HD22 ' A' ' 76' ' ' LEU . 14.4 mt-30 -57.12 -60.25 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.638 HG23 HD22 ' A' ' 99' ' ' LEU . 84.5 mt -50.83 -64.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.446 HG21 ' HD3' ' A' ' 27' ' ' PRO . 25.2 t -40.73 -41.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -68.91 -42.42 76.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.7 mt -60.75 -55.15 36.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.966 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.535 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -40.2 -49.17 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.583 ' HD3' HD13 ' A' ' 22' ' ' LEU . 32.0 mmm-85 -47.84 -51.47 22.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.76 -43.94 38.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.9 t -51.52 -62.35 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.526 HD21 ' HB2' ' A' ' 18' ' ' LEU . 21.3 mt -43.82 -58.9 2.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.52 -26.6 5.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.157 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.662 ' CB ' HG13 ' A' ' 61' ' ' VAL . 25.1 mmtm -84.44 -61.55 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.7 t -48.23 -34.89 10.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.48 -35.76 89.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -108.03 5.54 26.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.405 ' C ' HD23 ' A' ' 60' ' ' LEU . 2.7 t-20 66.82 47.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' ' 60' ' ' LEU . 5.6 mt -100.17 -12.5 19.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.662 HG13 ' CB ' ' A' ' 55' ' ' LYS . 35.5 m -82.67 122.47 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 63' ' ' SER . 68.0 p -123.39 162.87 21.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 62' ' ' THR . 4.5 t -34.64 -57.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' TYR . 17.3 tpp180 -54.1 -55.96 22.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.573 ' CE2' HG12 ' A' ' 61' ' ' VAL . 76.3 t80 -35.36 -61.65 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.473 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 23.2 m-85 -56.48 -64.09 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.6 mp -34.47 -53.57 0.52 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.41 -40.85 89.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 66' ' ' PHE . 13.7 ttt -57.84 -43.82 86.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -59.74 -63.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -52.18 -30.05 25.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -68.64 -59.35 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.858 HD11 HD21 ' A' ' 100' ' ' LEU . 2.2 pp -66.78 -53.96 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.751 ' N ' HD12 ' A' ' 73' ' ' LEU . 26.5 mt-10 -43.06 -57.27 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -43.88 -54.81 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.715 HD22 HE22 ' A' ' 44' ' ' GLN . 71.7 mt -40.76 -39.14 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.676 HD13 HG11 ' A' ' 96' ' ' VAL . 34.4 tp -35.88 -37.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.446 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.1 pp0? -46.08 -48.96 16.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.718 ' HB2' HD11 ' A' ' 41' ' ' ILE . 8.7 m-20 -45.26 -40.84 7.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.486 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -77.94 -55.75 5.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.642 ' CE1' HD21 ' A' ' 77' ' ' LEU . 13.7 m170 -60.7 -9.18 3.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -87.55 -67.81 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.495 ' HG3' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -95.28 -68.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 83' ' ' ARG . 41.1 t -33.15 141.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' GLU . 19.0 t70 -89.17 152.86 21.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 85' ' ' ASP . 87.1 p -36.36 -30.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ASP . 4.4 tm-20 -65.09 -60.46 3.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -68.47 -42.72 78.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.499 HG12 HG23 ' A' ' 93' ' ' VAL . 58.6 t -53.21 -47.22 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -42.89 -42.68 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -59.9 -68.89 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.0 mm -47.74 -49.41 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.499 HG23 HG12 ' A' ' 89' ' ' VAL . 10.2 t -41.46 -47.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -53.6 -46.17 70.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.64 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.3 mp -63.34 -70.34 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.676 HG11 HD13 ' A' ' 77' ' ' LEU . 5.6 p -36.14 -37.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -77.22 -61.07 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 101' ' ' ILE . 27.5 mttp -45.38 -52.22 10.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.81 HD23 HD22 ' A' ' 73' ' ' LEU . 14.8 tp -44.89 -36.5 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.858 HD21 HD11 ' A' ' 73' ' ' LEU . 16.6 mt -78.02 -27.51 48.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' LYS . 12.3 mt -79.65 -16.63 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.433 HG21 ' HG ' ' A' ' 18' ' ' LEU . 9.5 mt -95.99 -62.69 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.671 HG23 ' O ' ' A' ' 99' ' ' LEU . 16.0 pt -48.75 -29.7 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.931 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -56.79 176.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.918 0.39 . . . . 0.0 110.823 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 p -105.34 45.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.818 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.29 79.81 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 p -104.25 175.06 5.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -96.19 41.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.47 148.8 0.65 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.412 ' HB2' ' CB ' ' A' ' 12' ' ' ALA . 53.9 Cg_endo -69.73 138.65 38.43 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -107.43 -66.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.81 135.76 34.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.452 HG22 ' HB3' ' A' ' 14' ' ' MET . 3.7 m 62.35 27.36 16.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.412 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . . . -65.74 -57.7 7.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -38.67 -47.17 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.452 ' HB3' HG22 ' A' ' 11' ' ' THR . 4.9 ttp -61.96 -49.19 77.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -45.37 -58.23 3.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.99 -37.03 0.93 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.569 ' HB2' HG23 ' A' ' 102' ' ' ILE . 42.8 mtp85 -64.49 -60.69 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.854 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.647 ' HG ' HG21 ' A' ' 102' ' ' ILE . 3.1 mt -44.51 -31.92 1.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -63.95 -47.73 79.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -68.53 -28.75 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -57.81 -47.6 82.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.638 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.5 mt -74.98 -43.97 50.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.438 ' O ' ' CZ ' ' A' ' 30' ' ' ARG . 26.9 m -54.27 -22.28 11.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.75 -28.89 12.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.652 ' HB3' HD21 ' A' ' 95' ' ' LEU . 21.2 m-85 -123.75 92.84 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.63 125.17 22.21 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.572 0.701 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.596 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.0 Cg_endo -69.77 123.53 10.19 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.2 -52.03 2.93 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.38 -25.6 6.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.76 0.314 . . . . 0.0 111.101 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.438 ' CZ ' ' O ' ' A' ' 23' ' ' THR . 22.4 mtt-85 -131.02 -74.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.821 ' H ' HD23 ' A' ' 31' ' ' LEU . 2.3 pt? -121.42 179.64 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -160.71 150.48 17.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' ASP . 9.8 mt -117.42 108.31 15.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -35.23 -34.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' LEU . 7.4 t0 -54.52 117.82 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.78 -68.02 1.79 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.777 HG11 ' HD3' ' A' ' 83' ' ' ARG . 5.0 t -51.21 -67.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 111.132 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.836 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.6 tm? -37.22 -47.06 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 41' ' ' ILE . . . -62.32 -36.41 93.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 37' ' ' VAL . 14.4 t80 -45.39 -21.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.595 HD11 ' HB2' ' A' ' 79' ' ' ASP . 6.2 mt -82.63 -49.33 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.482 ' O ' HG23 ' A' ' 46' ' ' VAL . 15.9 t-160 -56.83 -41.24 77.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -69.51 -44.4 71.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.797 HE22 HD22 ' A' ' 76' ' ' LEU . 17.6 mt-30 -63.0 -64.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.571 HG23 HD22 ' A' ' 99' ' ' LEU . 83.8 mt -47.07 -65.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.596 HG21 ' HD3' ' A' ' 27' ' ' PRO . 39.1 t -37.28 -41.5 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -71.04 -42.69 69.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' ILE . 13.0 mt -58.62 -39.86 81.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.638 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -55.52 -52.54 63.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -44.36 -47.91 9.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.74 -49.77 64.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.1 t -49.51 -51.75 34.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.1 mt -50.62 -59.63 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.32 -32.74 50.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.716 ' CB ' HG13 ' A' ' 61' ' ' VAL . 43.6 mmtt -71.01 -66.14 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.4 m -46.01 -40.66 10.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.0 -34.72 52.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -111.85 9.97 20.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 63.94 44.28 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.425 HD23 ' N ' ' A' ' 60' ' ' LEU . 5.3 mt -93.93 -20.83 19.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.716 HG13 ' CB ' ' A' ' 55' ' ' LYS . 32.5 m -75.15 128.27 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.6 p -131.56 174.21 10.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -44.33 -59.69 2.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 65' ' ' TYR . 8.7 tpp180 -52.85 -54.1 39.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.479 ' CE2' HG12 ' A' ' 61' ' ' VAL . 55.5 t80 -36.15 -59.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.426 ' O ' ' C ' ' A' ' 67' ' ' LEU . 21.2 m-85 -61.66 -61.95 2.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.5 mp -35.19 -49.42 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -75.36 -40.61 57.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.404 ' O ' HD23 ' A' ' 73' ' ' LEU . 18.3 ttt -59.44 -27.3 65.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -73.36 -45.67 53.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -72.42 -24.88 61.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -73.68 -36.23 65.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.914 HD22 HD23 ' A' ' 99' ' ' LEU . 4.1 pp -90.34 -40.83 11.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.675 ' N ' HD12 ' A' ' 73' ' ' LEU . 17.8 mt-10 -53.7 -56.76 14.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -46.22 -51.6 14.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.797 HD22 HE22 ' A' ' 44' ' ' GLN . 96.5 mt -43.54 -41.77 4.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.873 HD13 HG11 ' A' ' 96' ' ' VAL . 28.3 tp -36.19 -33.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.551 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.6 pp0? -49.59 -48.9 48.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.708 ' OD1' HG13 ' A' ' 37' ' ' VAL . 7.5 m-20 -42.71 -37.33 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.889 ' HB1' HG22 ' A' ' 89' ' ' VAL . . . -80.31 -56.38 4.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.746 ' CD2' HG11 ' A' ' 89' ' ' VAL . 8.4 m170 -65.46 -7.75 15.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 78' ' ' GLN . 28.5 mm-40 -82.26 -63.19 1.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.777 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -101.81 -76.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' ARG . 2.6 m -37.55 156.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 86' ' ' SER . 1.8 m-20 -98.67 158.91 15.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 85' ' ' ASP . 48.0 p -36.51 -35.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -60.39 -55.52 32.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -71.07 -36.02 72.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.889 HG22 ' HB1' ' A' ' 80' ' ' ALA . 91.6 t -66.9 -38.23 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.9 t -43.71 -45.07 6.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.635 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 27.2 t80 -59.37 -54.3 48.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 95' ' ' LEU . 7.3 mm -59.88 -55.95 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.777 HG23 HG12 ' A' ' 89' ' ' VAL . 15.4 t -35.89 -53.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -47.53 -42.24 22.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.652 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.6 mp -67.96 -69.07 0.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.873 HG11 HD13 ' A' ' 77' ' ' LEU . 2.7 p -39.13 -41.11 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -75.83 -59.29 2.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -43.39 -51.64 6.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.914 HD23 HD22 ' A' ' 73' ' ' LEU . 40.9 tp -47.08 -41.14 16.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.79 HD21 HD11 ' A' ' 73' ' ' LEU . 19.7 mt -71.66 -26.41 62.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 16.7 mt -77.46 -22.62 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.647 HG21 ' HG ' ' A' ' 18' ' ' LEU . 9.8 mt -88.57 -58.61 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.118 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.613 HG23 ' O ' ' A' ' 99' ' ' LEU . 5.2 pt -56.05 -32.55 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 105' ' ' ARG . 54.2 p -40.76 114.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.538 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 4.7 ttt180 -37.74 -58.18 1.4 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 110.839 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.8 Cg_endo -69.74 84.65 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.68 2.253 . . . . 0.0 112.376 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -140.18 107.34 5.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -160.91 170.99 19.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.4 p -140.34 155.95 46.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 145.6 -94.93 0.17 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -49.81 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.692 2.261 . . . . 0.0 112.356 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.8 p -174.57 163.61 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.4 t -112.68 113.63 25.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.9 p -148.99 177.64 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.834 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -110.7 91.18 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.29 -173.23 51.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -106.3 136.34 46.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 110.88 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.2 m -157.79 156.69 31.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.8 144.71 30.38 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.529 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 178.21 4.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -129.7 -61.02 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.51 -44.17 6.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.122 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 12' ' ' ALA . 10.6 p -46.09 -52.5 11.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 11' ' ' THR . . . -33.8 -61.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -57.8 -42.85 85.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.52 ' SD ' HD12 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -57.66 -58.67 7.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.494 ' N ' ' SD ' ' A' ' 14' ' ' MET . 25.3 mt-10 -37.72 -61.8 0.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.27 -36.06 1.99 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 20' ' ' GLU . 66.3 mtp180 -65.95 -69.81 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 0.0 110.822 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.782 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.5 mt -36.04 -38.77 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.497 ' OE1' HD13 ' A' ' 53' ' ' LEU . 12.8 mm-40 -59.71 -47.57 85.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 17' ' ' ARG . 15.9 tt0 -73.82 -27.95 61.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -56.1 -39.86 72.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.593 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.0 OUTLIER -81.03 -43.57 19.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 51.2 m -53.73 -24.4 14.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.05 -31.6 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.777 ' HB3' HD21 ' A' ' 95' ' ' LEU . 20.3 m-85 -117.41 75.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.965 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.459 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . . . -115.16 128.93 25.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.545 0.688 . . . . 0.0 111.103 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.766 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.9 Cg_endo -69.76 121.15 7.84 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.625 2.216 . . . . 0.0 112.362 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 29' ' ' ALA . . . 79.65 -39.01 2.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.459 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . . . -32.69 -67.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.345 . . . . 0.0 111.087 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.665 HH11 HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -127.7 -24.02 3.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.665 HD22 HH11 ' A' ' 30' ' ' ARG . 1.4 pt? -132.91 174.42 10.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -171.27 168.5 6.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.801 HD13 ' CD1' ' A' ' 38' ' ' LEU . 8.3 mt -131.19 117.66 19.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.2 28.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -84.55 -29.89 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.86 -115.24 5.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.689 HG13 ' OD1' ' A' ' 79' ' ' ASP . 9.3 t -40.5 -49.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 111.113 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.801 ' CD1' HD13 ' A' ' 33' ' ' LEU . 1.8 tm? -43.42 -56.71 3.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.459 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -56.61 -39.58 85.86 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 39' ' ' GLY . 11.6 t80 -36.8 -31.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.913 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.589 HD11 ' N ' ' A' ' 80' ' ' ALA . 14.5 mt -73.36 -58.28 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.51 ' HB2' HD12 ' A' ' 92' ' ' ILE . 9.2 t-160 -48.28 -50.75 28.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -58.92 -48.85 80.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.679 HE22 HD22 ' A' ' 76' ' ' LEU . 12.7 mt-30 -57.66 -62.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.623 HG23 HD22 ' A' ' 99' ' ' LEU . 84.1 mt -47.89 -59.25 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.766 HG21 ' HD3' ' A' ' 27' ' ' PRO . 13.6 t -39.68 -42.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.75 -47.27 72.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . 11.5 mt -56.69 -59.53 4.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.593 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -37.35 -50.65 1.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -47.02 -52.51 14.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -49.05 -54.05 17.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.52 ' SG ' HG22 ' A' ' 103' ' ' ILE . 5.0 t -42.47 -59.31 1.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.782 HD21 ' HB2' ' A' ' 18' ' ' LEU . 49.6 mt -45.27 -59.54 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.79 -33.19 15.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.761 ' CB ' HG13 ' A' ' 61' ' ' VAL . 24.4 mmtm -72.83 -64.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 87.4 p -42.25 -37.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.52 -39.77 75.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -106.11 1.55 26.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.429 ' C ' HD23 ' A' ' 60' ' ' LEU . 14.9 m120 71.04 51.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' ' 59' ' ' ASN . 5.1 mt -107.2 6.23 28.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.77 HG12 ' CD2' ' A' ' 65' ' ' TYR . 3.3 m -105.15 115.54 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' SER . 71.0 p -122.26 169.15 11.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.17 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 62' ' ' THR . 2.6 t -34.79 -58.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -51.61 -59.28 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.77 ' CD2' HG12 ' A' ' 61' ' ' VAL . 48.9 t80 -38.48 -44.86 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.581 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.9 m-85 -71.24 -62.88 1.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 mp -38.5 -52.17 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -66.47 -39.62 88.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.7 ttt -61.47 -36.29 80.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.407 ' HA ' HD21 ' A' ' 100' ' ' LEU . 13.9 mt-30 -66.03 -42.03 90.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.65 -36.1 73.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -63.25 -42.74 99.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.863 HD22 HD23 ' A' ' 99' ' ' LEU . 4.1 pp -81.63 -43.99 17.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.746 ' N ' HD12 ' A' ' 73' ' ' LEU . 13.5 mt-10 -48.97 -62.24 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -42.08 -56.37 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.679 HD22 HE22 ' A' ' 44' ' ' GLN . 93.5 mt -42.03 -41.71 2.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.862 HD13 HG11 ' A' ' 96' ' ' VAL . 30.6 tp -36.09 -38.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.954 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.542 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 5.2 pp0? -45.84 -48.35 15.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.689 ' OD1' HG13 ' A' ' 37' ' ' VAL . 5.7 m-20 -41.06 -39.57 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.589 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -80.67 -57.09 3.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.547 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 9.4 m170 -58.35 -11.17 2.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -83.0 -66.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.476 ' NH2' HG21 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -99.62 -56.13 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.508 ' HB3' HG22 ' A' ' 89' ' ' VAL . 16.6 t -44.94 146.37 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.823 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 87' ' ' GLU . 1.4 m-20 -102.09 154.43 18.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 85' ' ' ASP . 85.6 p -33.73 -34.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.9 pm0 -63.51 -50.79 68.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' ASP . 47.7 mt-10 -79.57 -46.35 17.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.809 HG12 HG23 ' A' ' 93' ' ' VAL . 22.0 t -49.9 -30.89 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.3 t -56.36 -38.71 71.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.612 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 23.9 t80 -62.79 -60.25 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.51 HD12 ' HB2' ' A' ' 42' ' ' HIS . 19.4 mm -59.14 -55.13 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.809 HG23 HG12 ' A' ' 89' ' ' VAL . 16.0 t -35.91 -49.94 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -52.26 -47.89 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.777 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.6 mp -62.83 -71.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.862 HG11 HD13 ' A' ' 77' ' ' LEU . 6.3 p -36.11 -36.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' A' ' 98' ' ' LYS . 8.3 ttt180 -77.48 -64.29 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 101' ' ' ILE . 25.4 mttp -41.23 -52.04 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.863 HD23 HD22 ' A' ' 73' ' ' LEU . 29.3 tp -43.57 -43.72 5.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.794 HD21 HD11 ' A' ' 73' ' ' LEU . 15.2 mt -72.64 -25.45 61.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' LYS . 11.3 mt -81.86 -19.33 10.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.507 HG21 ' HG ' ' A' ' 18' ' ' LEU . 17.2 mt -91.15 -63.12 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.581 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 32.4 pt -47.66 -35.15 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 103' ' ' ILE . 2.9 m -45.31 113.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.555 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 4.7 ttt180 -46.6 -56.84 10.15 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.622 0.725 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.9 Cg_endo -69.76 88.23 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.745 2.297 . . . . 0.0 112.297 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -141.12 115.09 9.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -119.36 -15.1 9.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.6 m -134.77 -53.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 138.08 -100.9 0.31 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 1.87 4.01 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.342 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.7 t 74.59 50.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.5 t -89.79 -33.69 16.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.49 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 m 59.1 43.24 17.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 0.0 110.838 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 m -126.86 95.77 4.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.84 41.51 0.27 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t -64.78 91.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.889 0.376 . . . . 0.0 110.889 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -109.01 -45.94 3.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.9 72.33 1.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.526 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 178.06 4.95 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.656 2.237 . . . . 0.0 112.375 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -131.01 -57.97 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.19 -46.07 4.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.124 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 12' ' ' ALA . 2.7 p -46.17 -45.49 16.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 11' ' ' THR . . . -34.74 -58.57 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -61.31 -41.25 96.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.7 ttt -57.22 -54.87 41.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.522 ' O ' HD21 ' A' ' 53' ' ' LEU . 17.4 mt-10 -47.66 -57.17 5.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.44 -35.22 3.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.546 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 20' ' ' GLU . 55.7 mtp85 -68.34 -64.05 0.94 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.868 0.366 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' ARG . 5.5 mt -36.85 -40.32 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.74 ' OE1' HD13 ' A' ' 53' ' ' LEU . 13.0 mm-40 -61.07 -46.32 91.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 17' ' ' ARG . 15.1 tt0 -70.43 -29.37 65.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.446 ' CZ ' HD23 ' A' ' 95' ' ' LEU . 11.7 t80 -56.74 -44.01 81.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.83 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.0 OUTLIER -77.02 -43.09 35.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.9 m -53.48 -24.43 13.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.61 -31.19 11.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.775 ' HB3' HD21 ' A' ' 95' ' ' LEU . 19.7 m-85 -116.8 77.93 1.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.416 ' HB3' ' CB ' ' A' ' 29' ' ' ALA . . . -121.4 126.95 26.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.463 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.2 Cg_endo -69.72 107.9 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.385 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.04 -28.66 13.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.416 ' CB ' ' HB3' ' A' ' 26' ' ' ALA . . . -49.5 -71.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.504 HH11 HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -127.75 -6.43 5.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.817 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.555 HD11 ' CE2' ' A' ' 91' ' ' PHE . 1.3 pt? -143.71 177.69 8.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.94 126.77 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.972 HD13 HD11 ' A' ' 38' ' ' LEU . 56.0 mt -93.16 86.34 5.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.94 -44.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' ALA . 20.8 t0 -36.98 131.68 0.73 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.67 -93.73 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.717 HG13 ' OD1' ' A' ' 79' ' ' ASP . 5.0 t -38.45 -65.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.972 HD11 HD13 ' A' ' 33' ' ' LEU . 1.8 tm? -35.93 -57.92 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.588 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -53.41 -37.36 55.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.53 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 37' ' ' VAL . 7.9 t80 -43.28 -31.16 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.641 HD11 ' N ' ' A' ' 80' ' ' ALA . 13.1 mt -71.49 -57.47 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -48.48 -49.9 33.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -61.82 -46.38 89.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.425 ' NE2' HD22 ' A' ' 76' ' ' LEU . 18.4 mt-30 -59.02 -65.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.722 HG23 HD22 ' A' ' 99' ' ' LEU . 97.2 mt -47.01 -63.6 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.463 HG21 ' HD3' ' A' ' 27' ' ' PRO . 14.3 t -40.79 -42.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -68.96 -34.06 74.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.7 mt -67.31 -58.66 4.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.83 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -36.15 -49.34 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -46.22 -51.15 14.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.24 -52.89 24.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.5 t -41.58 -63.57 0.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.74 HD13 ' OE1' ' A' ' 19' ' ' GLN . 28.5 mt -46.41 -58.34 3.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.39 -26.37 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.65 ' CB ' HG13 ' A' ' 61' ' ' VAL . 46.2 mmtt -84.16 -62.97 1.43 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.7 t -46.35 -37.75 7.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.27 -36.01 73.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -108.48 5.45 25.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.403 ' C ' HD23 ' A' ' 60' ' ' LEU . 6.6 t30 66.87 48.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 60' ' ' LEU . 6.3 mt -101.58 -8.29 22.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.67 HG12 ' CE2' ' A' ' 65' ' ' TYR . 27.9 m -86.36 128.89 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.9 p -131.18 168.76 16.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.157 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 m -39.58 -52.23 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 65' ' ' TYR . 8.0 tpt180 -58.89 -57.06 14.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.67 ' CE2' HG12 ' A' ' 61' ' ' VAL . 67.4 t80 -34.88 -58.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -59.88 -61.9 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mt -39.24 -54.25 1.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.14 -40.06 86.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.401 ' O ' HD23 ' A' ' 73' ' ' LEU . 18.1 ttt -59.81 -33.27 71.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.452 ' CD ' HD22 ' A' ' 100' ' ' LEU . 20.6 mt-30 -71.3 -43.56 66.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -71.59 -29.02 64.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -71.33 -38.49 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.879 HD22 HD23 ' A' ' 99' ' ' LEU . 3.9 pp -85.3 -46.95 10.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.787 ' N ' HD12 ' A' ' 73' ' ' LEU . 16.6 mt-10 -46.93 -57.65 4.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -44.39 -53.83 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 73' ' ' LEU . 45.6 mt -41.64 -40.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.892 HD13 HG11 ' A' ' 96' ' ' VAL . 31.7 tp -35.78 -39.23 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.507 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.7 pp0? -44.97 -52.15 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.717 ' OD1' HG13 ' A' ' 37' ' ' VAL . 7.6 m-20 -39.08 -39.88 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.641 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -78.74 -57.87 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.52 ' CE1' HD21 ' A' ' 77' ' ' LEU . 8.4 m170 -62.02 -8.29 5.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' GLN . 28.2 mm-40 -83.09 -56.55 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.576 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -113.24 -55.47 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.72 ' HB3' HG22 ' A' ' 89' ' ' VAL . 10.6 t -41.21 145.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.616 ' O ' HG23 ' A' ' 89' ' ' VAL . 40.6 m-20 -95.03 155.7 16.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.0 p -37.88 -27.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 85' ' ' ASP . 8.4 pt-20 -69.03 -55.87 9.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.415 ' CB ' ' OG ' ' A' ' 84' ' ' SER . 7.3 mp0 -74.91 -44.6 47.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.72 HG22 ' HB3' ' A' ' 84' ' ' SER . 12.2 t -51.42 -41.07 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.8 t -49.99 -49.28 51.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.555 ' CE2' HD11 ' A' ' 31' ' ' LEU . 37.6 t80 -52.72 -61.66 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.537 HD11 ' CD1' ' A' ' 33' ' ' LEU . 13.5 mm -54.99 -55.39 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.497 HG23 HG12 ' A' ' 89' ' ' VAL . 9.6 t -37.09 -43.78 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -56.48 -47.63 78.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.775 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.4 mp -63.99 -70.69 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.892 HG11 HD13 ' A' ' 77' ' ' LEU . 7.4 p -36.35 -34.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.0 ttm-85 -79.75 -59.64 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 101' ' ' ILE . 26.0 mttp -47.54 -51.49 20.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.879 HD23 HD22 ' A' ' 73' ' ' LEU . 28.4 tp -42.9 -40.39 2.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.827 HD21 HD11 ' A' ' 73' ' ' LEU . 26.2 mt -73.22 -30.61 63.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' LYS . 9.7 mt -77.47 -25.07 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.7 mt -85.62 -62.67 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.69 HG23 ' O ' ' A' ' 99' ' ' LEU . 11.6 pt -48.25 -30.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.8 m -52.34 112.83 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.516 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 7.1 ttt85 -43.05 -58.67 3.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.592 0.71 . . . . 0.0 110.82 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.9 Cg_endo -69.77 105.92 1.57 Allowed 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.732 2.288 . . . . 0.0 112.375 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -140.95 137.3 32.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.6 ttm-85 -161.08 134.32 6.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 m -131.17 118.0 19.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -150.06 124.4 1.75 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 112' ' ' SER . 53.9 Cg_endo -69.77 97.19 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 111' ' ' PRO . 83.4 p -36.0 150.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.4 m -71.67 83.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.45 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p 42.3 42.24 2.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.829 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t -44.11 120.16 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.81 -167.27 17.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.49 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 6' ' ' SER . 17.4 m -61.51 132.21 52.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 5' ' ' SER . 89.7 p -36.13 -54.32 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.6 83.7 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.407 ' HG2' ' CB ' ' A' ' 12' ' ' ALA . 53.5 Cg_endo -69.76 179.99 3.31 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.337 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -117.51 -24.99 7.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.937 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -51.34 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 14' ' ' MET . 0.8 OUTLIER -36.17 -30.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.185 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . -34.18 -50.34 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.149 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -52.23 -46.05 65.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' THR . 0.4 OUTLIER -59.85 -50.47 73.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.467 ' O ' HD21 ' A' ' 53' ' ' LEU . 20.2 mt-10 -43.95 -50.63 8.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.37 -37.51 25.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.438 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.443 ' HB2' HG23 ' A' ' 102' ' ' ILE . 56.9 mtp180 -64.46 -56.68 12.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.51 ' HG ' HG21 ' A' ' 102' ' ' ILE . 3.5 mt -45.43 -30.57 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -65.71 -51.08 62.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -68.39 -30.49 69.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.428 ' CZ ' HD23 ' A' ' 95' ' ' LEU . 10.8 t80 -52.21 -47.22 65.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.492 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.9 mt -74.48 -45.68 44.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.44 ' O ' ' NH1' ' A' ' 30' ' ' ARG . 20.9 m -51.92 -24.12 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.48 -21.61 15.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.679 ' HB3' HD21 ' A' ' 95' ' ' LEU . 20.8 m-85 -130.01 76.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -119.61 129.12 25.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.681 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.0 Cg_endo -69.75 112.14 3.0 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.694 2.263 . . . . 0.0 112.336 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 29' ' ' ALA . . . 102.06 -58.95 0.6 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 28' ' ' GLY . . . -33.93 -67.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.778 0.323 . . . . 0.0 111.113 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.44 ' NH1' ' O ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -104.08 -64.58 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.825 HD11 ' CE2' ' A' ' 91' ' ' PHE . 1.5 pt? -117.54 158.09 25.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.3 128.51 17.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.043 HD13 HD11 ' A' ' 38' ' ' LEU . 44.6 mt -92.66 106.64 18.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.68 22.82 3.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.448 ' OD2' ' CB ' ' A' ' 38' ' ' LEU . 27.3 t0 -79.81 12.22 2.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.819 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' VAL . . . 65.17 -118.27 11.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.478 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.639 HG13 ' OD1' ' A' ' 79' ' ' ASP . 3.3 t -36.88 -64.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 0.0 111.104 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.043 HD11 HD13 ' A' ' 33' ' ' LEU . 1.4 tm? -38.81 -45.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.6 -34.22 88.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 37' ' ' VAL . 17.6 t80 -47.39 -22.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.862 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.626 HD11 ' CB ' ' A' ' 79' ' ' ASP . 6.8 mt -77.59 -50.41 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -52.84 -52.81 55.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -58.94 -46.68 87.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.716 ' NE2' HD22 ' A' ' 76' ' ' LEU . 12.9 mt-30 -58.97 -62.12 2.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.562 HG23 HD22 ' A' ' 99' ' ' LEU . 80.7 mt -50.75 -64.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.681 HG21 ' HD3' ' A' ' 27' ' ' PRO . 29.3 t -40.49 -37.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -73.07 -40.33 65.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.2 mt -63.09 -55.69 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.492 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -41.84 -47.67 4.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.5 mtp85 -48.38 -51.93 24.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -47.49 -52.82 16.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.1 t -42.67 -60.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.467 HD21 ' O ' ' A' ' 15' ' ' GLU . 19.8 mt -44.95 -58.16 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.54 -28.92 22.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.73 ' CB ' HG13 ' A' ' 61' ' ' VAL . 47.6 mmtt -79.7 -69.38 0.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 m -40.78 -39.46 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.74 -40.97 73.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.514 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.403 ' HB2' HD21 ' A' ' 60' ' ' LEU . 11.5 mm-40 -105.47 10.88 33.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.932 0.396 . . . . 0.0 110.903 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.6 m120 63.07 42.93 6.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 60' ' ' LEU . 5.2 mt -91.63 -24.07 19.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.73 HG13 ' CB ' ' A' ' 55' ' ' LYS . 31.2 m -70.42 133.68 31.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.9 p -132.54 167.33 20.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 m -41.05 -54.48 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 65' ' ' TYR . 3.7 tpp85 -57.75 -54.22 49.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.531 ' CE2' HG12 ' A' ' 61' ' ' VAL . 72.4 t80 -36.13 -58.06 0.68 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.2 m-85 -57.27 -63.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.6 mp -36.08 -59.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.418 ' CD ' ' OE2' ' A' ' 71' ' ' GLU . 16.5 mm-40 -60.95 -42.04 97.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.2 ttt -59.77 -32.91 71.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -68.6 -52.45 31.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.418 ' OE2' ' CD ' ' A' ' 68' ' ' GLU . 8.9 pt-20 -66.03 -29.59 69.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -68.25 -47.12 68.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.036 HD11 HD21 ' A' ' 100' ' ' LEU . 3.5 pp -76.63 -47.49 22.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.951 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.751 ' N ' HD12 ' A' ' 73' ' ' LEU . 14.3 mt-10 -50.02 -56.22 11.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.9 tpp85 -44.49 -49.8 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.716 HD22 ' NE2' ' A' ' 44' ' ' GLN . 84.1 mt -46.39 -42.03 14.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.896 HD13 HG11 ' A' ' 96' ' ' VAL . 21.9 tp -37.82 -30.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.556 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.8 pp0? -51.88 -47.98 64.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.639 ' OD1' HG13 ' A' ' 37' ' ' VAL . 7.0 m-20 -45.79 -35.45 4.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.553 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -82.0 -58.06 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.524 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 11.5 m170 -58.93 -10.33 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -83.45 -69.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -98.88 -60.68 1.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.563 ' CB ' HD23 ' A' ' 38' ' ' LEU . 30.5 t -38.13 156.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 87' ' ' GLU . 5.4 m-20 -110.52 155.43 22.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 85' ' ' ASP . 11.3 p -34.22 -33.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 85' ' ' ASP . 15.9 pt-20 -63.88 -52.99 57.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' A' ' 87' ' ' GLU . 3.7 mp0 -77.37 -44.22 30.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.735 HG12 HG23 ' A' ' 93' ' ' VAL . 18.5 t -56.56 -26.8 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.2 t -59.4 -43.64 92.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.825 ' CE2' HD11 ' A' ' 31' ' ' LEU . 22.0 t80 -61.64 -62.35 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.405 HD11 ' CD1' ' A' ' 33' ' ' LEU . 13.2 mm -54.33 -52.7 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.735 HG23 HG12 ' A' ' 89' ' ' VAL . 8.4 t -38.15 -52.04 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.073 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -49.57 -45.84 48.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.679 HD21 ' HB3' ' A' ' 25' ' ' TYR . 5.0 mp -63.68 -71.13 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.896 HG11 HD13 ' A' ' 77' ' ' LEU . 7.7 p -36.56 -35.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -78.96 -66.56 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 101' ' ' ILE . 10.6 mttm -42.46 -47.37 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.826 HD23 HD22 ' A' ' 73' ' ' LEU . 12.8 tp -45.7 -43.43 12.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.036 HD21 HD11 ' A' ' 73' ' ' LEU . 5.6 mt -74.38 -22.47 59.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 98' ' ' LYS . 5.3 mt -85.43 -19.81 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.51 HG21 ' HG ' ' A' ' 18' ' ' LEU . 14.3 mt -90.49 -57.06 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 27.8 pt -56.65 -29.06 28.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.0 m -60.39 112.04 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.648 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 3.9 ttm180 -42.78 -52.1 11.51 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.594 0.712 . . . . 0.0 110.834 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.5 Cg_endo -69.77 129.24 17.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.291 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -150.14 167.92 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -162.99 153.15 16.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.5 t -115.98 163.75 15.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -145.41 -157.59 7.32 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.469 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 128.16 15.61 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.394 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 113' ' ' SER . 14.5 m -83.1 -45.72 13.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 112' ' ' SER . 34.2 t -34.66 -47.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -53.93 112.08 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.93 0.395 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -69.38 82.54 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.6 -113.28 4.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -127.7 114.16 16.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -99.04 149.7 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.42 125.11 6.82 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 95.12 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.2 tptp -95.42 -44.75 7.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.88 -36.78 15.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' MET . 19.0 p -69.23 -60.1 2.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 11' ' ' THR . . . -32.89 -53.01 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -67.34 -40.99 85.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 11' ' ' THR . 3.6 ttt -59.64 -56.48 21.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.582 ' O ' HD21 ' A' ' 53' ' ' LEU . 33.4 mt-10 -43.58 -45.47 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.839 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.3 -39.04 81.29 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -62.12 -56.9 14.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.351 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.435 ' HG ' ' CG2' ' A' ' 102' ' ' ILE . 5.9 mt -41.76 -37.26 1.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -60.55 -55.3 35.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -62.3 -33.09 73.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -52.47 -44.33 65.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.693 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.0 OUTLIER -78.45 -45.73 21.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.2 m -53.74 -25.86 20.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.8 -35.46 12.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.69 ' HB3' HD21 ' A' ' 95' ' ' LEU . 20.1 m-85 -117.21 80.15 1.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.618 ' HB3' ' CB ' ' A' ' 29' ' ' ALA . . . -118.25 125.17 28.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.536 0.684 . . . . 0.0 111.079 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.589 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.1 Cg_endo -69.73 91.26 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 118.78 -25.56 7.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.618 ' CB ' ' HB3' ' A' ' 26' ' ' ALA . . . -54.02 -64.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.484 ' HD2' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -127.13 -16.28 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.685 HD11 ' CE2' ' A' ' 91' ' ' PHE . 1.2 pt? -138.62 -179.88 6.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.02 124.0 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.885 HD13 HD11 ' A' ' 38' ' ' LEU . 64.4 mt -91.56 83.75 5.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.69 -42.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.095 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.433 ' CG ' ' HB3' ' A' ' 38' ' ' LEU . 24.6 t0 -37.87 127.69 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' VAL . . . -64.69 -95.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.462 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.769 HG13 ' OD1' ' A' ' 79' ' ' ASP . 12.8 t -36.96 -65.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 111.115 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.885 HD11 HD13 ' A' ' 33' ' ' LEU . 1.9 tm? -35.84 -60.53 0.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.577 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -53.88 -37.79 58.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' VAL . 11.0 t80 -38.26 -32.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.521 HG22 ' CD1' ' A' ' 45' ' ' ILE . 13.3 mt -71.54 -60.01 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.499 ' HB2' HD12 ' A' ' 92' ' ' ILE . 20.8 t-160 -48.18 -48.22 34.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -61.49 -44.14 97.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.547 HE22 HD22 ' A' ' 76' ' ' LEU . 13.5 mt-30 -64.14 -71.93 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.76 HG23 HD22 ' A' ' 99' ' ' LEU . 86.6 mt -38.8 -60.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.589 HG21 ' HD3' ' A' ' 27' ' ' PRO . 42.7 t -43.02 -41.14 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -71.47 -34.8 70.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 48' ' ' LEU . 13.4 mt -65.23 -57.9 7.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.693 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -37.45 -47.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -46.99 -52.01 15.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -53.04 -44.19 67.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.409 ' SG ' HG22 ' A' ' 103' ' ' ILE . 2.6 t -50.85 -54.13 26.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.582 HD21 ' O ' ' A' ' 15' ' ' GLU . 24.5 mt -50.78 -57.92 7.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.17 -32.31 35.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.691 ' CB ' HG13 ' A' ' 61' ' ' VAL . 39.8 mmtt -71.2 -65.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.8 t -50.21 -34.94 24.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.34 -35.76 91.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -109.09 11.39 25.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.392 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.1 m120 64.08 46.26 3.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mt -99.98 -24.46 14.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.691 HG13 ' CB ' ' A' ' 55' ' ' LYS . 23.9 m -65.96 118.68 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.6 p -122.08 159.98 25.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.9 m -37.6 -49.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -61.03 -49.79 75.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.455 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 61.6 t80 -39.68 -58.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.577 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.5 m-85 -60.49 -61.77 2.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' PHE . 3.6 mt -36.92 -58.94 0.74 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -63.42 -41.26 98.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.3 ttt -56.37 -37.81 70.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -63.64 -47.2 82.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.25 -33.2 72.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -65.3 -44.1 88.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.96 HD11 HD21 ' A' ' 100' ' ' LEU . 3.6 pp -80.4 -48.5 12.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.746 ' N ' HD12 ' A' ' 73' ' ' LEU . 18.4 mt-10 -44.77 -63.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.7 tpt85 -40.14 -56.52 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.547 HD22 HE22 ' A' ' 44' ' ' GLN . 78.5 mt -39.97 -40.41 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.79 HD13 HG11 ' A' ' 96' ' ' VAL . 26.7 tp -35.61 -40.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.531 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.3 pp0? -45.34 -49.67 12.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.769 ' OD1' HG13 ' A' ' 37' ' ' VAL . 7.1 m-20 -39.63 -35.9 0.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.552 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -84.47 -58.31 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.469 ' CE1' HD21 ' A' ' 77' ' ' LEU . 7.8 m170 -61.5 -7.93 3.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 78' ' ' GLN . 18.1 mm-40 -80.44 -60.29 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.505 ' HD2' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -114.23 -52.03 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.531 ' HB3' HG22 ' A' ' 89' ' ' VAL . 14.5 t -42.66 150.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 87' ' ' GLU . 21.5 m-20 -101.75 150.98 22.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 85' ' ' ASP . 13.6 t -37.92 -26.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 85' ' ' ASP . 9.6 pt-20 -67.79 -46.6 71.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 85' ' ' ASP . 24.5 mt-10 -86.79 -33.61 19.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.675 HG12 HG23 ' A' ' 93' ' ' VAL . 16.5 t -64.51 -34.83 72.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.6 t -51.54 -44.97 62.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.685 ' CE2' HD11 ' A' ' 31' ' ' LEU . 32.8 t80 -61.6 -64.67 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.791 HD11 ' CD1' ' A' ' 33' ' ' LEU . 26.0 mm -49.77 -49.59 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.675 HG23 HG12 ' A' ' 89' ' ' VAL . 25.4 t -41.87 -46.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -53.36 -44.1 68.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.69 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.9 mp -64.25 -70.83 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.79 HG11 HD13 ' A' ' 77' ' ' LEU . 5.9 p -38.82 -37.14 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.4 ttm-85 -75.59 -64.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 101' ' ' ILE . 9.4 mttm -43.14 -51.87 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.855 HD23 HD22 ' A' ' 73' ' ' LEU . 23.2 tp -40.93 -49.69 3.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.96 HD21 HD11 ' A' ' 73' ' ' LEU . 22.9 mt -63.98 -29.71 70.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 98' ' ' LYS . 10.0 mt -78.92 -29.47 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.435 ' CG2' ' HG ' ' A' ' 18' ' ' LEU . 20.6 mt -79.93 -62.91 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.577 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 31.9 pt -47.99 -27.04 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.4 m -65.26 115.74 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.521 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 6.7 ttt180 -44.74 -58.52 5.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.552 0.692 . . . . 0.0 110.844 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.7 Cg_endo -69.77 127.51 14.69 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.665 2.243 . . . . 0.0 112.347 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -145.29 116.59 7.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 109' ' ' SER . 12.6 ttp85 -60.59 139.46 57.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 108' ' ' ARG . 28.4 t -34.89 -58.92 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.417 ' HA2' ' HD2' ' A' ' 111' ' ' PRO . . . 102.38 96.91 2.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.417 ' HD2' ' HA2' ' A' ' 110' ' ' GLY . 53.9 Cg_endo -69.74 -4.89 14.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.7 t -125.87 138.66 53.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.1 m -61.71 158.07 16.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -152.17 149.63 28.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.907 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -53.04 -57.24 11.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.3 -159.36 25.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.52 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 p -117.26 141.97 47.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.82 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -49.43 146.09 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.25 143.66 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 129.79 18.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -120.26 -60.5 1.68 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.19 -51.54 17.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.087 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.8 m -96.99 40.6 1.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.0 -61.51 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.145 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -45.23 -47.6 12.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.8 ttp -50.02 -52.22 35.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' ARG . 13.7 mm-40 -46.89 -64.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' GLU . . . -36.29 -33.32 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 15' ' ' GLU . 59.6 mtp180 -71.71 -66.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 0.0 110.86 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.649 ' HB2' HD21 ' A' ' 53' ' ' LEU . 4.5 mt -37.29 -34.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -64.22 -57.21 10.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.42 -31.11 71.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.416 ' CZ ' HD23 ' A' ' 95' ' ' LEU . 14.7 t80 -55.31 -45.22 76.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.643 HD13 ' HD3' ' A' ' 50' ' ' ARG . 1.3 mt -76.97 -44.83 29.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.7 m -52.82 -24.65 9.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.22 -27.86 12.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.782 ' HB3' HD21 ' A' ' 95' ' ' LEU . 18.4 m-30 -120.11 78.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.491 ' O ' HD23 ' A' ' 31' ' ' LEU . . . -123.47 120.04 27.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.587 0.708 . . . . 0.0 111.099 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 130.37 19.23 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.248 . . . . 0.0 112.369 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.07 -39.03 2.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -43.55 -65.16 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.719 0.295 . . . . 0.0 111.083 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.526 HH11 HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -128.94 -27.91 2.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.55 HD11 ' CZ ' ' A' ' 91' ' ' PHE . 1.2 pt? -124.0 -178.15 3.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -173.79 -178.59 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.766 HD13 ' CD1' ' A' ' 38' ' ' LEU . 10.0 mt -147.68 117.44 7.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' ASP . . . -88.36 -14.09 39.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' ALA . 3.2 t70 -34.93 -40.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 128.93 -136.39 9.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.558 HG12 ' HG3' ' A' ' 83' ' ' ARG . 0.5 OUTLIER -43.73 -33.72 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 111.133 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.809 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.6 tm? -39.82 -52.76 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.505 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -53.17 -33.81 46.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 37' ' ' VAL . 4.3 t80 -45.49 -32.08 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 110.882 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.7 HD11 ' HB2' ' A' ' 79' ' ' ASP . 14.0 mt -74.32 -60.24 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.419 ' HB2' HD12 ' A' ' 92' ' ' ILE . 10.4 t-160 -46.56 -44.63 18.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -66.03 -45.87 79.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.523 HE22 HD22 ' A' ' 76' ' ' LEU . 16.0 mt-30 -60.3 -56.67 18.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.695 HG23 HD22 ' A' ' 99' ' ' LEU . 84.2 mt -54.57 -62.67 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -45.31 -31.09 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -78.58 -36.3 44.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.2 mt -68.99 -47.75 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.417 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -45.67 -49.2 14.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.086 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.643 ' HD3' HD13 ' A' ' 22' ' ' LEU . 18.2 mmm180 -47.59 -53.12 15.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 37.9 t0 -49.67 -45.61 48.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.2 t -47.03 -55.37 8.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.649 HD21 ' HB2' ' A' ' 18' ' ' LEU . 11.3 mt -51.39 -60.74 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.78 -29.61 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.05 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.696 ' CB ' HG13 ' A' ' 61' ' ' VAL . 34.3 mmtt -76.66 -66.03 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.2 m -45.8 -39.66 8.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.91 -38.89 76.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -104.7 3.47 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 68.9 48.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 60' ' ' LEU . 5.8 mt -100.03 -22.01 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.696 HG13 ' CB ' ' A' ' 55' ' ' LYS . 29.5 m -69.2 122.34 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 63' ' ' SER . 63.2 p -122.55 158.15 30.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.501 ' O ' HD23 ' A' ' 67' ' ' LEU . 33.7 p -34.55 -54.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.827 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 65' ' ' TYR . 0.7 OUTLIER -59.55 -52.25 66.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.655 ' CE2' HG12 ' A' ' 61' ' ' VAL . 64.4 t80 -35.38 -57.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.508 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.1 m-85 -58.93 -63.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 63' ' ' SER . 4.2 mm? -34.02 -57.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -61.59 -39.78 92.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.469 ' N ' ' O ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -60.02 -44.04 94.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.416 ' HB3' HD22 ' A' ' 100' ' ' LEU . 21.8 mt-30 -66.57 -49.75 65.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -63.32 -31.06 72.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -69.98 -52.63 22.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.942 HD22 HD23 ' A' ' 99' ' ' LEU . 2.3 pp -68.65 -47.96 65.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.644 ' N ' HD12 ' A' ' 73' ' ' LEU . 17.8 mt-10 -45.73 -55.45 6.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -49.57 -52.33 30.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.523 HD22 HE22 ' A' ' 44' ' ' GLN . 93.9 mt -42.52 -41.44 2.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.691 HD13 HG11 ' A' ' 96' ' ' VAL . 25.5 tp -35.74 -34.59 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.445 ' CD ' ' N ' ' A' ' 79' ' ' ASP . 4.2 pp0? -47.25 -51.07 19.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.7 ' HB2' HD11 ' A' ' 41' ' ' ILE . 15.4 m-20 -44.45 -40.23 5.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.559 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -76.56 -57.12 4.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.616 ' CE1' HD21 ' A' ' 77' ' ' LEU . 11.9 m170 -61.55 -8.79 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -86.81 -69.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.558 ' HG3' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -94.8 -65.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.657 ' HB3' HG22 ' A' ' 89' ' ' VAL . 8.0 t -34.12 148.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 87' ' ' GLU . 19.6 t70 -98.74 155.03 17.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 85' ' ' ASP . 87.6 p -35.77 -31.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 85' ' ' ASP . 4.8 tp10 -64.88 -63.87 1.01 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -66.51 -45.56 79.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.657 HG22 ' HB3' ' A' ' 84' ' ' SER . 62.7 t -49.29 -46.26 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.3 t -50.09 -33.9 20.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.55 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 29.3 t80 -64.56 -58.65 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.419 HD12 ' HB2' ' A' ' 42' ' ' HIS . 5.4 mm -59.8 -47.11 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.16 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.9 t -43.16 -43.68 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -57.2 -46.8 82.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.782 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.2 mp -65.14 -69.54 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.691 HG11 HD13 ' A' ' 77' ' ' LEU . 7.6 p -36.5 -35.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.624 HH11 HD11 ' A' ' 101' ' ' ILE . 6.6 ttm-85 -79.81 -60.42 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 101' ' ' ILE . 26.1 mttp -45.18 -55.09 6.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.942 HD23 HD22 ' A' ' 73' ' ' LEU . 33.9 tp -40.31 -42.65 1.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.883 HD21 HD11 ' A' ' 73' ' ' LEU . 26.4 mt -71.62 -33.02 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.624 HD11 HH11 ' A' ' 97' ' ' ARG . 9.4 mt -71.52 -24.84 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.0 mt -86.98 -58.34 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.759 HG23 ' O ' ' A' ' 99' ' ' LEU . 8.2 pt -56.26 -31.09 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.3 p -41.81 116.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.553 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 7.5 ttt85 -44.23 -56.71 7.45 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.671 0.748 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 54.1 Cg_endo -69.76 106.75 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.241 . . . . 0.0 112.356 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -167.37 120.23 0.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.057 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -144.17 124.45 13.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.4 t -56.62 130.96 47.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -177.72 83.81 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 124.62 11.26 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.72 2.28 . . . . 0.0 112.333 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 m -115.33 114.45 25.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.2 m -39.46 -58.7 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 p -121.01 87.1 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 p -98.47 42.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.42 144.93 1.26 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 t -73.75 89.55 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.372 . . . . 0.0 110.879 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.5 t -104.82 85.4 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.72 -163.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.47 ' HB2' ' CB ' ' A' ' 12' ' ' ALA . 54.5 Cg_endo -69.7 162.02 43.66 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.733 2.288 . . . . 0.0 112.367 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' PRO . 2.5 mmmp? -35.93 135.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -39.49 -45.14 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -103.33 44.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . . . -76.66 -56.98 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.09 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' ALA . 4.3 tp60 -36.61 -63.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -45.11 -60.11 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -41.25 -56.79 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.43 -37.84 4.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.594 ' HB2' HG23 ' A' ' 102' ' ' ILE . 26.6 mtp180 -62.89 -59.44 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.806 0.336 . . . . 0.0 110.919 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.665 ' HG ' HG21 ' A' ' 102' ' ' ILE . 3.2 mt -45.76 -30.82 1.75 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -63.53 -47.71 80.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -70.41 -25.7 63.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.61 ' CZ ' HD23 ' A' ' 95' ' ' LEU . 21.9 t80 -57.6 -40.8 79.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.93 -36.36 36.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.493 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 32.7 m -62.03 -22.26 65.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.35 -28.99 11.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.641 ' HB3' HD21 ' A' ' 95' ' ' LEU . 19.8 m-85 -126.19 102.55 7.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.954 ' HB1' ' HB3' ' A' ' 29' ' ' ALA . . . -135.65 120.71 13.51 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.709 . . . . 0.0 111.111 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.65 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.7 Cg_endo -69.81 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.267 . . . . 0.0 112.344 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.44 32.41 6.83 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.954 ' HB3' ' HB1' ' A' ' 26' ' ' ALA . . . -132.42 -31.18 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.493 ' NE ' ' O ' ' A' ' 23' ' ' THR . 58.9 mtt85 -130.33 -75.26 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.533 ' H ' HD23 ' A' ' 31' ' ' LEU . 1.6 pt? -120.48 153.26 36.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.21 133.49 44.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.008 HD13 HD11 ' A' ' 38' ' ' LEU . 65.9 mt -87.96 111.96 22.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.91 26.68 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.455 ' OD2' ' CB ' ' A' ' 38' ' ' LEU . 49.8 t0 -90.75 21.87 3.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' VAL . . . 51.34 -116.53 4.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.755 HG13 ' OD1' ' A' ' 79' ' ' ASP . 9.3 t -36.66 -68.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 111.103 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.008 HD11 HD13 ' A' ' 33' ' ' LEU . 1.2 tm? -35.91 -55.87 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.66 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -55.99 -34.91 62.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' A' ' 37' ' ' VAL . 8.7 t80 -44.3 -34.83 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.621 HD11 ' HB2' ' A' ' 79' ' ' ASP . 10.3 mt -64.95 -60.38 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.623 ' O ' HG23 ' A' ' 46' ' ' VAL . 5.9 t-160 -41.51 -45.5 3.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -67.18 -46.77 72.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -59.52 -68.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.502 HG23 HD22 ' A' ' 99' ' ' LEU . 97.7 mt -45.12 -69.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.65 HG21 ' HD3' ' A' ' 27' ' ' PRO . 89.0 t -36.45 -43.64 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -66.6 -41.2 88.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 45' ' ' ILE . 13.6 mt -63.29 -39.56 94.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.95 -47.59 77.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -50.42 -50.1 52.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -52.59 -46.16 66.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.69 -58.81 5.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.1 mt -40.42 -58.14 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.81 -40.39 66.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.76 ' CB ' HG13 ' A' ' 61' ' ' VAL . 35.3 mmtt -61.47 -66.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.2 t -49.68 -30.33 8.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.09 -31.37 79.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -115.97 18.98 15.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 57.98 48.39 13.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.421 ' O ' HG23 ' A' ' 62' ' ' THR . 6.2 mt -100.56 -30.69 11.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.813 HG12 ' CE2' ' A' ' 65' ' ' TYR . 19.5 m -63.1 112.25 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 60' ' ' LEU . 50.5 p -115.3 159.25 21.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' THR . 12.6 t -35.51 -50.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -61.87 -48.26 81.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.813 ' CE2' HG12 ' A' ' 61' ' ' VAL . 40.1 t80 -41.1 -47.22 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.582 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 23.3 m-85 -71.71 -62.75 1.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.5 mp -36.0 -45.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -73.39 -44.12 59.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.668 ' HG3' HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -56.6 -52.77 63.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -49.2 -44.76 43.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -73.15 -38.17 66.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -62.16 -36.31 81.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.982 HD22 HD23 ' A' ' 99' ' ' LEU . 4.1 pp -88.11 -44.37 10.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.742 ' N ' HD12 ' A' ' 73' ' ' LEU . 21.6 mt-10 -48.75 -64.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -40.57 -56.73 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 73' ' ' LEU . 89.9 mt -40.15 -39.08 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.822 HD13 HG11 ' A' ' 96' ' ' VAL . 27.8 tp -35.7 -38.73 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.498 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.6 pp0? -46.54 -48.79 19.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.755 ' OD1' HG13 ' A' ' 37' ' ' VAL . 9.5 m-20 -40.76 -33.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.607 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -88.35 -57.55 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.534 ' CE1' HD21 ' A' ' 77' ' ' LEU . 9.7 m170 -61.51 -8.24 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 78' ' ' GLN . 22.2 mm-40 -83.38 -60.32 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.452 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -109.74 -54.22 2.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.688 ' HB3' HG22 ' A' ' 89' ' ' VAL . 7.6 t -39.85 157.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.657 ' O ' HG23 ' A' ' 89' ' ' VAL . 1.5 m-20 -110.92 158.5 18.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 85' ' ' ASP . 48.9 p -37.04 -28.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 85' ' ' ASP . 8.1 tt0 -69.71 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.82 -44.59 89.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.688 HG22 ' HB3' ' A' ' 84' ' ' SER . 16.0 t -52.85 -39.21 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.8 t -51.93 -44.97 64.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -58.06 -60.06 4.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.525 HD11 ' CD1' ' A' ' 33' ' ' LEU . 14.9 mm -57.59 -57.41 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.652 HG23 HG12 ' A' ' 89' ' ' VAL . 13.0 t -35.56 -47.83 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -54.19 -42.99 70.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.641 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.4 mp -68.96 -70.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.822 HG11 HD13 ' A' ' 77' ' ' LEU . 5.7 p -35.88 -37.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -80.87 -57.92 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -44.78 -51.0 9.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.982 HD23 HD22 ' A' ' 73' ' ' LEU . 37.4 tp -45.14 -46.49 11.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.904 HD21 HD11 ' A' ' 73' ' ' LEU . 16.0 mt -64.85 -28.35 69.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.0 mt -74.72 -26.43 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.665 HG21 ' HG ' ' A' ' 18' ' ' LEU . 10.4 mt -87.12 -63.03 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.582 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 15.0 pt -49.61 -29.41 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 m -68.37 114.05 6.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.632 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 6.9 ttt180 -50.98 -52.13 60.92 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.6 Cg_endo -69.78 -179.9 3.24 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.623 2.215 . . . . 0.0 112.384 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -175.0 149.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.076 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.7 ttm105 -160.76 144.21 13.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 92.0 p -127.16 107.26 9.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -76.45 148.78 36.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -30.99 21.29 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.661 2.241 . . . . 0.0 112.337 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 93.9 p -47.31 113.54 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -165.36 130.16 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 m -73.34 152.59 40.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.906 0.384 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 t -123.69 106.25 10.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.38 -84.4 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t 66.96 37.2 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.838 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -145.87 132.45 19.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.22 -153.31 25.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 159.61 52.79 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.351 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.73 -62.67 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.16 -57.06 8.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.72 -30.05 68.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.17 -38.08 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.048 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -71.89 -46.06 59.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.477 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -53.78 -46.25 70.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.477 ' N ' ' SD ' ' A' ' 14' ' ' MET . 39.2 mt-10 -51.55 -47.15 63.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.95 -26.17 18.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.46 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' HB2' HG23 ' A' ' 102' ' ' ILE . 13.0 mtp85 -76.95 -59.57 2.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.596 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.2 mt -40.0 -28.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 17' ' ' ARG . 21.4 mt-30 -66.67 -49.98 64.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -67.65 -28.86 68.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -57.08 -44.62 83.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.535 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.5 mt -77.7 -41.54 37.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.502 ' O ' ' CZ ' ' A' ' 30' ' ' ARG . 60.1 m -57.64 -22.69 47.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.073 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.91 -25.63 14.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.078 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.58 ' HB3' HD21 ' A' ' 95' ' ' LEU . 20.6 m-85 -126.16 85.01 2.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.921 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -124.62 128.2 25.0 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.562 0.696 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.631 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.9 Cg_endo -69.72 122.04 8.74 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.07 -57.05 3.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -38.9 -36.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.77 0.319 . . . . 0.0 111.069 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.502 ' CZ ' ' O ' ' A' ' 23' ' ' THR . 11.4 mtt-85 -124.64 -70.54 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.765 ' H ' HD23 ' A' ' 31' ' ' LEU . 2.6 pt? -119.94 -175.26 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -169.16 149.46 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.093 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.703 HD13 HD11 ' A' ' 38' ' ' LEU . 9.4 mt -113.69 105.27 13.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.48 -34.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.11 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 33' ' ' LEU . 23.0 t0 -51.3 134.51 27.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -80.94 -70.55 1.33 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.534 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.703 HG11 ' HD3' ' A' ' 83' ' ' ARG . 2.9 t -52.77 -59.21 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.703 HD11 HD13 ' A' ' 33' ' ' LEU . 2.3 tm? -44.37 -49.85 9.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.95 -22.98 67.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.425 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.435 ' CD2' ' NE2' ' A' ' 44' ' ' GLN . 6.3 t80 -52.85 -33.4 49.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.738 HG22 HD12 ' A' ' 45' ' ' ILE . 11.8 mt -69.06 -59.15 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.602 ' O ' HG23 ' A' ' 46' ' ' VAL . 17.9 t-160 -47.32 -49.54 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.814 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -60.67 -42.65 97.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.479 ' NE2' HD22 ' A' ' 76' ' ' LEU . 22.7 mt-30 -68.24 -67.8 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.738 HD12 HG22 ' A' ' 41' ' ' ILE . 52.5 mt -42.44 -65.05 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.631 HG21 ' HD3' ' A' ' 27' ' ' PRO . 53.4 t -34.33 -41.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -69.92 -45.2 68.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.7 mt -57.32 -44.16 83.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.535 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -53.69 -50.83 64.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -48.61 -46.64 39.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -51.84 -52.07 52.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.404 ' SG ' HG22 ' A' ' 103' ' ' ILE . 1.8 t -44.4 -59.25 2.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.596 HD21 ' HB2' ' A' ' 18' ' ' LEU . 40.7 mt -44.61 -59.09 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.48 -34.43 61.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.643 ' HB3' HG13 ' A' ' 61' ' ' VAL . 28.1 mmtm -69.42 -64.28 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.1 m -42.46 -45.23 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -48.41 -43.49 27.31 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -100.52 4.4 43.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.862 0.363 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 68.83 47.53 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.438 ' HB2' ' CD ' ' A' ' 55' ' ' LYS . 7.0 mt -103.64 12.44 34.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.643 HG13 ' HB3' ' A' ' 55' ' ' LYS . 20.4 m -116.71 118.78 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.1 p -130.49 171.0 13.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.4 p -37.26 -42.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 65' ' ' TYR . 6.5 tpt180 -67.19 -62.57 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.489 ' CE2' HG12 ' A' ' 61' ' ' VAL . 84.4 t80 -34.9 -49.79 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.577 ' HD1' HD12 ' A' ' 103' ' ' ILE . 29.9 m-85 -64.23 -63.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -34.29 -61.43 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -58.53 -36.27 73.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.81 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 66' ' ' PHE . 10.7 ttt -65.09 -62.63 1.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.667 ' HB3' HD22 ' A' ' 100' ' ' LEU . 9.9 mt-30 -39.56 -43.11 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.15 -40.1 65.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -59.95 -36.13 76.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.979 HD22 HD23 ' A' ' 99' ' ' LEU . 3.7 pp -88.72 -43.86 10.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.666 ' N ' HD12 ' A' ' 73' ' ' LEU . 17.4 mt-10 -50.71 -58.19 6.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 -43.2 -53.57 5.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.479 HD22 ' NE2' ' A' ' 44' ' ' GLN . 74.4 mt -42.58 -41.51 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.916 HD13 HG11 ' A' ' 96' ' ' VAL . 29.5 tp -36.05 -35.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.5 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.4 pp0? -46.39 -51.8 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.691 ' OD1' HG13 ' A' ' 37' ' ' VAL . 6.8 m-20 -38.25 -35.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.49 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -84.0 -55.98 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.605 ' CE1' HD21 ' A' ' 77' ' ' LEU . 7.8 m170 -62.41 -7.76 4.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 78' ' ' GLN . 15.1 mt-10 -86.35 -49.97 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.703 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -115.71 -73.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.743 ' OG ' HG22 ' A' ' 89' ' ' VAL . 95.6 p -34.75 152.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.569 ' O ' HG23 ' A' ' 89' ' ' VAL . 0.7 OUTLIER -98.86 158.08 15.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 85' ' ' ASP . 60.0 p -32.36 -38.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 85' ' ' ASP . 5.0 mp0 -61.09 -65.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -60.55 -33.66 72.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.943 HG12 HG23 ' A' ' 93' ' ' VAL . 15.9 t -70.89 -25.13 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.4 p -58.36 -36.34 73.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 22.8 t80 -67.22 -58.92 3.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 95' ' ' LEU . 12.2 mm -60.5 -52.53 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.943 HG23 HG12 ' A' ' 89' ' ' VAL . 3.0 t -38.4 -49.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -52.51 -43.66 65.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.58 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.7 mp -64.64 -69.28 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.916 HG11 HD13 ' A' ' 77' ' ' LEU . 4.8 p -38.07 -35.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -79.06 -64.98 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 101' ' ' ILE . 9.0 mttm -43.55 -48.84 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.979 HD23 HD22 ' A' ' 73' ' ' LEU . 11.4 tp -43.1 -46.18 5.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.796 HD21 HD11 ' A' ' 73' ' ' LEU . 7.8 mt -71.87 -24.5 61.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 98' ' ' LYS . 13.8 mt -80.95 -16.07 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.456 HG23 ' HB2' ' A' ' 17' ' ' ARG . 13.2 mt -96.74 -63.1 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.093 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.577 HD12 ' HD1' ' A' ' 66' ' ' PHE . 24.5 pt -50.26 -29.03 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 105' ' ' ARG . 3.1 m -42.4 102.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.504 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 0.7 OUTLIER -33.73 -59.54 0.5 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.617 0.723 . . . . 0.0 110.864 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 54.1 Cg_endo -69.78 -48.29 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.74 2.293 . . . . 0.0 112.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 51.5 41.63 28.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.2 tpt85 67.94 43.31 1.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.5 m -120.14 -44.43 2.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.422 ' HA2' ' HD2' ' A' ' 111' ' ' PRO . . . 64.84 110.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.422 ' HD2' ' HA2' ' A' ' 110' ' ' GLY . 54.0 Cg_endo -69.74 133.88 26.67 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.336 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.6 m 42.82 41.01 2.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.5 t -118.27 158.36 25.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.505 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t 71.51 42.2 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -38.68 149.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.71 90.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 t -58.4 146.26 35.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.2 p -96.71 -52.94 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.52 152.63 8.64 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 9' ' ' LYS . 54.0 Cg_endo -69.79 -0.86 7.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 0.0 112.327 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 8' ' ' PRO . 31.9 pttt -35.27 -48.71 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.31 -59.88 2.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -122.68 45.84 2.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.169 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 13' ' ' GLN . . . -84.17 -65.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 12' ' ' ALA . 32.0 tt0 -35.99 -54.72 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.471 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER -47.71 -60.82 2.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.471 ' N ' ' SD ' ' A' ' 14' ' ' MET . 57.5 mt-10 -41.16 -59.34 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -38.85 -39.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.45 ' HB2' HG23 ' A' ' 102' ' ' ILE . 56.0 mtp85 -63.48 -65.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.487 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.4 mt -36.0 -39.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.647 ' OE1' HD13 ' A' ' 53' ' ' LEU . 15.5 mm-40 -59.49 -49.3 78.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' ARG . 14.3 tt0 -71.88 -25.67 62.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.401 ' CE1' ' HD2' ' A' ' 25' ' ' TYR . 4.5 t80 -58.12 -39.48 78.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.696 HD21 ' HB3' ' A' ' 49' ' ' ALA . 0.8 OUTLIER -81.58 -43.62 18.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.7 m -53.56 -25.53 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.24 -34.57 12.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.786 ' HB3' HD21 ' A' ' 95' ' ' LEU . 7.8 m-85 -112.8 48.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.0 114.05 61.57 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 111.075 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 53.7 Cg_endo -69.74 99.64 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.704 2.269 . . . . 0.0 112.372 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 124.78 -28.54 5.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.81 -61.98 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.739 0.304 . . . . 0.0 111.072 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.477 ' HD3' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -128.52 -29.1 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.481 ' HG ' ' N ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -131.43 149.4 52.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.481 ' N ' ' HG ' ' A' ' 31' ' ' LEU . . . -160.45 134.6 7.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.667 HD13 HD11 ' A' ' 38' ' ' LEU . 21.9 mt -100.2 110.66 22.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 35' ' ' ASP . . . -61.84 -37.28 83.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.427 ' HB3' HD12 ' A' ' 38' ' ' LEU . 10.2 t0 -36.18 135.38 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.94 -99.93 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.46 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.704 HG13 ' OD1' ' A' ' 79' ' ' ASP . 6.5 t -38.33 -65.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.889 0.376 . . . . 0.0 111.075 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.667 HD11 HD13 ' A' ' 33' ' ' LEU . 1.6 tm? -35.76 -49.88 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.451 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -60.66 -39.27 96.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.526 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 37' ' ' VAL . 8.7 t80 -40.24 -28.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.854 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.595 HD11 ' HB2' ' A' ' 79' ' ' ASP . 10.9 mt -76.78 -56.39 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -52.26 -48.29 65.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -63.39 -41.14 98.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.673 HE22 HD22 ' A' ' 76' ' ' LEU . 12.6 mt-30 -64.72 -66.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.685 HG23 HD22 ' A' ' 99' ' ' LEU . 84.2 mt -45.76 -65.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.408 HG21 ' HD3' ' A' ' 27' ' ' PRO . 38.3 t -41.43 -34.97 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -77.14 -35.69 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.5 mt -66.98 -56.03 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.696 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -38.69 -47.41 1.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.649 ' HD3' HD13 ' A' ' 22' ' ' LEU . 13.3 mmm180 -46.64 -50.81 17.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.33 -50.3 62.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.469 ' SG ' HG22 ' A' ' 103' ' ' ILE . 8.6 t -43.54 -58.57 2.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.647 HD13 ' OE1' ' A' ' 19' ' ' GLN . 53.5 mt -50.44 -56.7 10.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.07 -28.8 11.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.671 ' CB ' HG13 ' A' ' 61' ' ' VAL . 26.0 mmtt -78.22 -63.35 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.8 m -48.75 -40.7 29.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.66 -31.28 53.0 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -112.14 1.55 16.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 t30 71.31 45.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 mt -97.86 -20.61 17.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.671 HG13 ' CB ' ' A' ' 55' ' ' LYS . 31.0 m -70.76 133.75 31.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.8 p -133.49 164.53 26.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.5 t -41.55 -48.93 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' TYR . 9.0 tpt180 -62.26 -52.37 64.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.528 ' CE2' HG12 ' A' ' 61' ' ' VAL . 58.7 t80 -37.27 -57.19 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.538 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 22.0 m-85 -62.16 -63.18 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PHE . 3.9 mt -36.8 -46.59 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -74.76 -45.75 41.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.9 ttt -52.62 -38.11 59.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -62.93 -45.43 92.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -71.07 -34.32 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -63.96 -41.59 97.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.928 HD11 HD21 ' A' ' 100' ' ' LEU . 3.7 pp -83.84 -48.33 10.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.765 ' N ' HD12 ' A' ' 73' ' ' LEU . 25.7 mt-10 -43.78 -66.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -37.61 -56.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.673 HD22 HE22 ' A' ' 44' ' ' GLN . 65.4 mt -39.58 -41.23 0.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.801 HD13 HG11 ' A' ' 96' ' ' VAL . 31.4 tp -35.62 -40.73 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.53 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.8 pp0? -44.57 -49.67 10.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.704 ' OD1' HG13 ' A' ' 37' ' ' VAL . 6.8 m-20 -40.56 -36.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.593 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -81.8 -58.49 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.469 ' CD2' ' CG1' ' A' ' 89' ' ' VAL . 7.9 m170 -60.99 -8.59 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 78' ' ' GLN . 27.6 mm-40 -83.76 -68.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.633 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -99.6 -54.02 3.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.797 ' HB3' HG22 ' A' ' 89' ' ' VAL . 5.2 t -43.35 156.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.721 ' O ' HG23 ' A' ' 89' ' ' VAL . 6.3 m-20 -103.76 154.01 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.0 p -38.07 -27.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 85' ' ' ASP . 31.0 mt-10 -69.27 -66.24 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.488 ' OE1' ' CD2' ' A' ' 33' ' ' LEU . 6.3 mm-40 -63.88 -40.93 97.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.797 HG22 ' HB3' ' A' ' 84' ' ' SER . 17.4 t -55.25 -38.41 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.4 t -48.63 -50.24 33.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.463 ' CZ ' HD13 ' A' ' 31' ' ' LEU . 30.0 t80 -55.03 -63.81 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.643 HD11 ' CD1' ' A' ' 33' ' ' LEU . 8.7 mm -48.95 -50.74 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.465 HG23 HG12 ' A' ' 89' ' ' VAL . 10.5 t -44.99 -46.36 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -56.45 -47.94 78.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.786 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.1 mp -61.99 -67.19 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.801 HG11 HD13 ' A' ' 77' ' ' LEU . 5.6 p -38.74 -38.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.476 ' HG2' ' N ' ' A' ' 98' ' ' LYS . 3.0 ttt85 -76.93 -64.95 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.476 ' N ' ' HG2' ' A' ' 97' ' ' ARG . 25.6 mttp -40.74 -46.6 2.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.685 HD22 HG23 ' A' ' 45' ' ' ILE . 23.3 tp -47.97 -46.21 32.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.928 HD21 HD11 ' A' ' 73' ' ' LEU . 10.3 mt -70.75 -27.27 63.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 11.1 mt -76.92 -18.62 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.45 HG23 ' HB2' ' A' ' 17' ' ' ARG . 15.4 mt -93.13 -61.65 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.076 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.538 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 32.5 pt -50.62 -28.47 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.6 m -45.19 116.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.642 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 1.4 tmt_? -47.37 -52.09 38.58 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.58 0.705 . . . . 0.0 110.835 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 54.0 Cg_endo -69.69 -43.37 2.76 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.267 . . . . 0.0 112.329 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 50.63 38.76 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.079 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -117.48 94.13 4.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.2 t -52.12 -45.74 65.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 167.67 -96.47 0.12 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 148.63 65.23 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.714 2.276 . . . . 0.0 112.343 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.6 m -124.34 140.68 52.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.5 p -118.8 42.35 2.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -112.49 108.9 18.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.362 . . . . 0.0 110.846 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 t -81.37 141.78 33.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.72 -173.36 17.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.7 p -89.52 115.86 27.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.38 . . . . 0.0 110.834 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 m -117.88 153.59 33.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.5 142.3 12.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.46 5.7 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.67 -60.15 1.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.97 133.07 50.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.675 HG22 ' HB3' ' A' ' 14' ' ' MET . 6.4 m 73.4 33.43 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.44 -58.84 3.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -46.6 -41.06 13.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.675 ' HB3' HG22 ' A' ' 11' ' ' THR . 7.1 ttt -57.02 -57.54 12.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -45.19 -52.79 8.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.99 -37.75 9.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 18' ' ' LEU . 62.2 mtt180 -67.26 -63.03 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.468 ' HG ' HG21 ' A' ' 102' ' ' ILE . 4.8 mt -36.56 -40.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -58.86 -56.04 27.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -62.78 -30.76 71.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -57.21 -44.54 83.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.659 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.5 mt -79.09 -46.15 18.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.9 m -53.19 -23.5 8.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.75 -36.51 10.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.688 ' HB3' HD21 ' A' ' 95' ' ' LEU . 17.6 m-85 -114.22 65.69 0.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . . . -105.13 114.06 63.98 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.614 0.721 . . . . 0.0 111.092 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.48 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.9 Cg_endo -69.75 111.64 2.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.61 -17.94 54.11 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . . . -74.95 -54.55 7.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.599 HH11 HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -130.63 -29.15 1.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.599 HD22 HH11 ' A' ' 30' ' ' ARG . 1.5 pt? -122.51 -179.51 4.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.954 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.33 118.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.764 HD13 HD11 ' A' ' 38' ' ' LEU . 55.7 mt -92.07 85.35 5.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.31 -43.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.426 ' CG ' ' HB3' ' A' ' 38' ' ' LEU . 6.1 t0 -38.43 128.31 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.63 -94.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.786 HG13 ' OD1' ' A' ' 79' ' ' ASP . 12.3 t -38.39 -65.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 111.105 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.764 HD11 HD13 ' A' ' 33' ' ' LEU . 2.0 tm? -35.72 -57.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.554 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -56.06 -35.54 64.68 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.481 ' CD2' ' NE2' ' A' ' 44' ' ' GLN . 7.0 t80 -41.15 -31.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.64 HD11 ' HB2' ' A' ' 79' ' ' ASP . 15.5 mt -73.95 -59.66 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.679 ' O ' HG23 ' A' ' 46' ' ' VAL . 18.0 t-160 -46.06 -43.49 14.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -68.89 -53.71 19.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.584 ' NE2' HD22 ' A' ' 76' ' ' LEU . 16.1 mt-30 -53.21 -60.69 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.714 HG23 HD22 ' A' ' 99' ' ' LEU . 93.3 mt -50.1 -63.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 42' ' ' HIS . 75.4 t -45.16 -28.3 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.38 -40.26 36.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.6 mt -66.75 -48.36 69.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.659 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -44.71 -49.08 10.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -48.61 -52.3 23.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -48.03 -50.85 26.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' LYS . 5.1 t -46.91 -64.91 0.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' A' ' 18' ' ' LEU . 18.8 mt -36.53 -58.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.05 -38.43 65.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.665 ' CB ' HG13 ' A' ' 61' ' ' VAL . 34.5 mmtt -65.73 -66.79 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.9 p -44.63 -40.13 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.813 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.96 -40.91 83.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.449 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -104.26 13.22 32.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.2 m120 59.95 50.3 6.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.437 ' HB2' ' CD ' ' A' ' 55' ' ' LYS . 7.0 mt -102.23 -24.52 13.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.665 HG13 ' CB ' ' A' ' 55' ' ' LYS . 23.1 m -65.88 118.44 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.5 p -120.06 163.06 18.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.0 p -37.65 -57.88 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.5 tpp85 -56.03 -49.81 72.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.642 ' CE2' HG12 ' A' ' 61' ' ' VAL . 61.3 t80 -39.19 -48.15 1.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.566 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.3 m-85 -71.94 -64.17 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' PHE . 3.0 mp -33.97 -53.86 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -64.59 -42.37 95.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.646 ' HG3' HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -57.9 -51.38 69.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.42 ' HA ' HD21 ' A' ' 100' ' ' LEU . 20.9 mt-30 -53.19 -49.92 65.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -65.87 -36.08 82.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -64.58 -50.3 67.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.887 HD22 HD23 ' A' ' 99' ' ' LEU . 3.7 pp -71.51 -44.24 65.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.714 ' N ' HD12 ' A' ' 73' ' ' LEU . 14.1 mt-10 -49.28 -63.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.5 tpp85 -41.65 -54.84 3.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.584 HD22 ' NE2' ' A' ' 44' ' ' GLN . 95.3 mt -40.43 -40.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.748 HD13 HG11 ' A' ' 96' ' ' VAL . 32.7 tp -35.81 -39.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.517 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.9 pp0? -44.57 -49.32 10.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.786 ' OD1' HG13 ' A' ' 37' ' ' VAL . 7.7 m-20 -40.54 -37.2 0.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.542 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -82.11 -59.63 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.468 ' CE1' HD21 ' A' ' 77' ' ' LEU . 7.9 m170 -60.56 -8.73 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 78' ' ' GLN . 7.5 mt-10 -80.95 -65.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.509 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -104.8 -58.66 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.2 t -38.88 156.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 87' ' ' GLU . 14.6 m-20 -102.11 157.29 16.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.5 p -39.61 -27.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 85' ' ' ASP . 10.7 tp10 -69.16 -66.2 0.61 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -62.36 -38.59 90.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.526 HG12 HG23 ' A' ' 93' ' ' VAL . 89.9 t -57.2 -46.14 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.2 t -45.53 -41.87 10.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.442 ' CE2' HD11 ' A' ' 31' ' ' LEU . 35.9 t80 -60.34 -58.12 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.1 mm -57.93 -52.99 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.526 HG23 HG12 ' A' ' 89' ' ' VAL . 39.3 t -39.65 -47.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -54.17 -44.66 71.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.688 HD21 ' HB3' ' A' ' 25' ' ' TYR . 5.0 mp -65.32 -66.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.748 HG11 HD13 ' A' ' 77' ' ' LEU . 5.9 p -43.16 -35.9 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -76.34 -62.56 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 101' ' ' ILE . 10.7 mttm -44.48 -53.57 6.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.887 HD23 HD22 ' A' ' 73' ' ' LEU . 28.2 tp -39.92 -44.68 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.887 HD21 HD11 ' A' ' 73' ' ' LEU . 21.1 mt -71.19 -33.53 70.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 98' ' ' LYS . 14.5 mt -71.63 -26.23 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.468 HG21 ' HG ' ' A' ' 18' ' ' LEU . 17.7 mt -82.27 -63.13 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.566 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 18.4 pt -52.83 -37.23 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.8 p -38.86 108.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.546 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 14.7 ttt-85 -38.95 -57.71 1.98 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.593 0.711 . . . . 0.0 110.834 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.9 Cg_endo -69.76 138.63 38.29 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.679 2.253 . . . . 0.0 112.305 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -174.35 161.12 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.7 149.98 21.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.4 p -129.81 128.73 42.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 120.11 135.16 4.91 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.525 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 112' ' ' SER . 54.2 Cg_endo -69.72 105.58 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 111' ' ' PRO . 92.0 p 36.34 42.03 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.1 t -95.46 117.69 30.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.814 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -82.52 92.43 7.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.9 t 46.63 45.16 14.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.55 -154.66 6.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 p -156.35 121.32 4.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.389 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -109.03 107.1 17.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.76 -178.35 30.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.659 ' HB2' ' HB2' ' A' ' 12' ' ' ALA . 53.8 Cg_endo -69.78 -164.0 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 12' ' ' ALA . 23.7 mmmt -125.83 168.54 13.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 9' ' ' LYS . . . -34.9 -37.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.54 44.31 1.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.659 ' HB2' ' HB2' ' A' ' 8' ' ' PRO . . . -81.31 -52.96 6.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -43.17 -47.41 6.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.1 ttt -55.62 -50.22 70.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -49.3 -58.29 5.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -39.05 -33.77 0.26 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.559 ' HB2' HG23 ' A' ' 102' ' ' ILE . 46.7 mtp85 -68.28 -58.31 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.42 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.3 mt -43.44 -38.98 3.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -56.84 -54.09 50.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -63.43 -33.93 76.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -55.07 -45.5 75.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.608 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.2 mt -76.99 -44.76 29.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.9 m -54.11 -25.17 20.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.52 -33.47 11.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.696 ' HB3' HD21 ' A' ' 95' ' ' LEU . 20.3 m-85 -117.45 76.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.581 ' CB ' ' HB3' ' A' ' 29' ' ' ALA . . . -118.76 115.37 35.21 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 111.079 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.714 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.0 Cg_endo -69.77 112.31 3.05 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.635 2.224 . . . . 0.0 112.367 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.04 -34.97 4.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.581 ' HB3' ' CB ' ' A' ' 26' ' ' ALA . . . -58.57 -53.46 58.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 111.11 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.561 ' CD ' HD23 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -131.35 -31.81 1.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 32' ' ' ALA . 1.1 pp -149.68 169.62 20.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.706 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -161.2 -175.31 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.639 HD13 HD11 ' A' ' 38' ' ' LEU . 11.0 mt -124.51 138.24 54.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.6 -24.8 33.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.047 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 36' ' ' GLY . 7.4 t70 -42.42 165.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' A' ' 35' ' ' ASP . . . -79.25 -121.11 0.32 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.519 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.501 HG12 ' HG3' ' A' ' 83' ' ' ARG . 0.4 OUTLIER -49.56 -35.3 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.885 0.374 . . . . 0.0 111.169 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.743 ' C ' HD13 ' A' ' 38' ' ' LEU . 1.3 tm? -35.91 -58.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.691 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -47.82 -37.9 15.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.495 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 37' ' ' VAL . 1.8 t80 -35.13 -45.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.868 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.483 HD11 ' HB2' ' A' ' 79' ' ' ASP . 13.5 mt -59.61 -68.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 41' ' ' ILE . 18.7 t-160 -36.69 -42.0 0.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -63.78 -49.18 73.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.823 HE22 HD22 ' A' ' 76' ' ' LEU . 11.9 mt-30 -61.42 -63.25 1.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.506 HG23 HD22 ' A' ' 99' ' ' LEU . 96.8 mt -44.43 -66.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.714 HG21 ' HD3' ' A' ' 27' ' ' PRO . 20.9 t -39.14 -42.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.84 -42.8 76.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 45' ' ' ILE . 14.7 mt -60.97 -46.68 89.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.608 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -50.27 -50.64 49.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -47.52 -53.07 15.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -47.45 -54.19 12.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' LYS . 3.9 t -43.15 -63.88 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.42 HD21 ' HB2' ' A' ' 18' ' ' LEU . 18.3 mt -38.38 -57.82 1.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.32 -34.23 32.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.677 ' CB ' HG13 ' A' ' 61' ' ' VAL . 28.5 mmtm -71.95 -66.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.7 t -42.79 -41.58 3.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.69 -37.7 62.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.526 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.421 ' HB2' HD21 ' A' ' 60' ' ' LEU . 3.4 mt-10 -105.58 4.68 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.5 t30 66.8 45.8 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.421 HD21 ' HB2' ' A' ' 58' ' ' GLU . 6.2 mt -97.82 -21.87 16.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.681 HG12 ' CE2' ' A' ' 65' ' ' TYR . 20.1 m -67.95 128.55 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.3 p -132.97 166.97 21.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.0 p -37.63 -57.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.412 ' HB2' ' NH1' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -54.94 -53.29 57.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.681 ' CE2' HG12 ' A' ' 61' ' ' VAL . 47.7 t80 -39.31 -48.92 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.524 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 22.0 m-85 -72.0 -63.05 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.5 mp -35.61 -57.25 0.64 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.2 -47.25 85.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.551 ' HG3' HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -51.73 -41.98 61.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -61.81 -54.05 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.93 -30.6 71.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -67.86 -52.03 41.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.879 HD22 HD23 ' A' ' 99' ' ' LEU . 3.6 pp -70.4 -46.19 64.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.733 ' N ' HD12 ' A' ' 73' ' ' LEU . 18.0 mt-10 -46.92 -63.24 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -40.65 -53.8 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.823 HD22 HE22 ' A' ' 44' ' ' GLN . 68.3 mt -43.15 -42.91 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.697 HD13 HG11 ' A' ' 96' ' ' VAL . 29.8 tp -35.57 -33.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' LEU . 4.1 pp0? -45.77 -51.21 13.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.483 ' HB2' HD11 ' A' ' 41' ' ' ILE . 7.8 m-20 -43.22 -41.18 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.588 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -75.44 -59.27 2.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.586 ' CE1' HD21 ' A' ' 77' ' ' LEU . 11.3 m170 -60.78 -8.71 3.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 78' ' ' GLN . 41.9 mm-40 -83.02 -68.86 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.501 ' HG3' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -99.5 -59.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.629 ' HB3' HG22 ' A' ' 89' ' ' VAL . 7.7 t -35.87 152.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' GLU . 1.0 OUTLIER -102.34 150.57 23.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 85' ' ' ASP . 85.7 p -34.09 -35.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 85' ' ' ASP . 18.2 tt0 -59.74 -65.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -66.56 -45.49 79.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.629 HG22 ' HB3' ' A' ' 84' ' ' SER . 64.1 t -46.65 -36.12 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.3 t -58.17 -42.41 85.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.509 ' HD2' HD11 ' A' ' 33' ' ' LEU . 20.3 t80 -56.52 -61.88 2.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.536 HD11 ' CD1' ' A' ' 33' ' ' LEU . 11.4 mm -56.18 -52.56 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 89' ' ' VAL . 17.5 t -37.81 -48.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -51.99 -43.56 63.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.696 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.8 mp -66.78 -70.04 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.697 HG11 HD13 ' A' ' 77' ' ' LEU . 7.5 p -39.33 -35.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.469 ' HG2' ' N ' ' A' ' 98' ' ' LYS . 6.8 ttt180 -79.54 -64.42 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.469 ' N ' ' HG2' ' A' ' 97' ' ' ARG . 13.1 mttm -40.54 -52.26 2.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.879 HD23 HD22 ' A' ' 73' ' ' LEU . 34.9 tp -41.44 -49.85 3.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.723 HD21 HD11 ' A' ' 73' ' ' LEU . 18.5 mt -64.79 -30.11 71.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 98' ' ' LYS . 3.7 mt -75.97 -21.71 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.559 HG23 ' HB2' ' A' ' 17' ' ' ARG . 10.5 mt -92.24 -63.09 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.524 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 26.0 pt -49.09 -27.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.2 m -61.73 112.77 2.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.645 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 12.7 ttt180 -52.1 -52.04 65.89 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.645 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.8 Cg_endo -69.82 -43.03 2.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.297 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 43.63 39.01 2.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.6 ttt180 -150.16 159.46 44.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.8 m 56.68 44.0 24.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -98.03 -92.95 1.95 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 100.01 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.719 2.279 . . . . 0.0 112.316 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 43.2 p -150.52 158.87 44.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.8 t -57.07 131.82 51.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -100.54 101.18 12.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -115.43 161.87 17.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.95 142.53 17.42 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 m -131.86 88.1 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.352 . . . . 0.0 110.829 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 p -90.73 81.92 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.47 158.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' LYS . 53.5 Cg_endo -69.79 -39.15 6.78 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.258 . . . . 0.0 112.335 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' PRO . 1.3 tppt? 34.37 39.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.45 115.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 50.64 48.57 22.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 13' ' ' GLN . . . -90.65 -68.56 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.058 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' ALA . 8.5 tt0 -35.17 -43.68 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.486 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -56.03 -55.31 34.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.837 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.486 ' N ' ' SD ' ' A' ' 14' ' ' MET . 65.8 mt-10 -42.03 -56.16 2.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.83 -36.6 8.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.54 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.564 ' HB2' HG23 ' A' ' 102' ' ' ILE . 69.5 mtp85 -63.55 -62.91 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.339 . . . . 0.0 110.843 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.621 ' HG ' HG21 ' A' ' 102' ' ' ILE . 2.8 mt -42.74 -35.1 1.04 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -59.5 -53.98 51.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -69.14 -29.79 67.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -55.08 -45.34 75.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.652 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.0 OUTLIER -78.34 -46.17 20.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.4 m -50.9 -25.4 4.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.22 -35.33 10.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.664 ' HB3' HD21 ' A' ' 95' ' ' LEU . 17.4 m-85 -113.9 67.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.897 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.24 121.28 39.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.585 0.707 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 110.85 2.65 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.252 . . . . 0.0 112.375 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.54 -28.47 14.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.83 -69.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.41 -17.38 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.407 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 1.4 pt? -129.15 177.46 7.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.02 113.96 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.724 HD13 HD11 ' A' ' 38' ' ' LEU . 57.5 mt -86.33 80.08 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.98 -41.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.406 ' CG ' ' HB3' ' A' ' 38' ' ' LEU . 7.8 t0 -37.17 132.28 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.66 -98.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.538 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.769 HG13 ' OD1' ' A' ' 79' ' ' ASP . 14.0 t -37.69 -66.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.724 HD11 HD13 ' A' ' 33' ' ' LEU . 1.8 tm? -35.97 -50.65 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 41' ' ' ILE . . . -61.28 -40.88 99.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.518 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 37' ' ' VAL . 10.6 t80 -40.16 -27.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.641 HD11 ' CB ' ' A' ' 79' ' ' ASP . 10.8 mt -76.25 -54.96 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.178 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -52.98 -42.01 65.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -70.33 -40.63 74.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.563 ' NE2' HD22 ' A' ' 76' ' ' LEU . 16.8 mt-30 -65.71 -65.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.64 HG23 HD22 ' A' ' 99' ' ' LEU . 88.2 mt -47.43 -66.79 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.6 t -38.02 -40.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -69.9 -39.52 76.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 45' ' ' ILE . 13.8 mt -63.89 -46.62 84.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.652 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -48.74 -48.85 40.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -46.06 -50.54 15.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.42 -41.47 69.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.656 ' SG ' HG22 ' A' ' 103' ' ' ILE . 2.2 t -52.26 -58.48 6.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' A' ' 18' ' ' LEU . 42.4 mt -48.82 -57.04 7.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.65 -33.29 32.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.68 ' CB ' HG13 ' A' ' 61' ' ' VAL . 35.6 mmtt -71.75 -66.35 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 65.4 m -44.71 -39.72 5.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.52 -38.97 72.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -104.1 5.01 34.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 66.98 47.25 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 62' ' ' THR . 6.2 mt -97.5 -34.56 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.68 HG13 ' CB ' ' A' ' 55' ' ' LYS . 28.9 m -54.54 116.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 60' ' ' LEU . 61.9 p -120.9 160.18 23.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 62' ' ' THR . 22.4 p -34.86 -49.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -60.01 -52.19 66.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.66 ' CE2' HG12 ' A' ' 61' ' ' VAL . 23.3 t80 -40.7 -55.47 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 24.3 m-85 -63.71 -63.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' PHE . 4.4 mt -37.12 -49.44 0.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -70.41 -46.74 63.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.609 ' HG3' HD23 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -51.41 -52.67 44.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -53.28 -49.27 67.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.87 -28.91 67.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -72.04 -44.45 63.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.955 HD11 HD21 ' A' ' 100' ' ' LEU . 3.5 pp -78.05 -49.42 14.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.789 ' N ' HD12 ' A' ' 73' ' ' LEU . 16.4 mt-10 -43.78 -63.66 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 75' ' ' ARG . 0.7 OUTLIER -39.24 -56.22 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.563 HD22 ' NE2' ' A' ' 44' ' ' GLN . 80.1 mt -40.73 -39.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.891 HD13 HG11 ' A' ' 96' ' ' VAL . 28.1 tp -35.89 -39.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.52 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.8 pp0? -48.1 -49.22 32.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.769 ' OD1' HG13 ' A' ' 37' ' ' VAL . 5.8 m-20 -40.59 -38.38 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.56 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -80.88 -60.88 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -57.14 -11.63 1.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.8 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.13 -65.85 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.487 ' HD2' ' N ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -107.92 -47.91 3.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.699 ' HB3' HG22 ' A' ' 89' ' ' VAL . 8.2 t -46.04 143.02 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.614 ' O ' HG23 ' A' ' 89' ' ' VAL . 10.1 t70 -92.31 153.85 18.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 85' ' ' ASP . 71.6 p -37.26 -27.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 85' ' ' ASP . 46.4 mt-10 -67.56 -66.29 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -65.45 -36.83 85.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.699 HG22 ' HB3' ' A' ' 84' ' ' SER . 40.9 t -57.92 -44.65 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.3 t -48.41 -44.25 34.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.407 ' CE2' ' CD1' ' A' ' 31' ' ' LEU . 27.7 t80 -57.36 -63.12 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.721 HD11 ' CD1' ' A' ' 33' ' ' LEU . 17.0 mm -53.73 -48.49 60.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.449 HG23 HG12 ' A' ' 89' ' ' VAL . 12.9 t -41.63 -47.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -53.91 -44.17 70.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 25' ' ' TYR . 5.0 mp -64.13 -70.2 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.891 HG11 HD13 ' A' ' 77' ' ' LEU . 7.0 p -38.73 -36.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -77.98 -66.27 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 101' ' ' ILE . 10.3 mttm -40.44 -52.56 2.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.891 HD23 HD22 ' A' ' 73' ' ' LEU . 21.8 tp -42.75 -43.95 4.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.955 HD21 HD11 ' A' ' 73' ' ' LEU . 11.6 mt -72.18 -27.56 62.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 98' ' ' LYS . 5.6 mt -81.03 -19.6 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.621 HG21 ' HG ' ' A' ' 18' ' ' LEU . 19.0 mt -88.28 -61.62 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.656 HG22 ' SG ' ' A' ' 52' ' ' CYS . 14.7 pt -54.62 -26.76 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 m -53.99 113.9 1.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.642 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 7.7 ttm180 -48.05 -52.1 43.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.5 Cg_endo -69.85 139.44 39.92 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.317 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -165.22 120.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -94.85 129.91 41.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 84.5 p -146.34 170.85 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 164.31 -160.63 33.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 112' ' ' SER . 53.5 Cg_endo -69.75 -7.36 20.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.647 2.231 . . . . 0.0 112.344 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 111' ' ' PRO . 24.5 m -34.5 101.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 93.2 p -171.62 116.08 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -106.48 113.06 26.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.839 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.6 m -38.58 -49.39 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.56 178.39 15.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 t -63.74 -45.28 90.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -98.02 -50.43 4.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.16 -157.37 28.93 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.637 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 53.8 Cg_endo -69.79 86.2 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.71 2.273 . . . . 0.0 112.323 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.26 -43.05 32.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.68 146.03 27.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 p 47.78 25.7 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 8' ' ' PRO . . . -40.86 -71.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -39.18 -63.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.491 ' SD ' ' N ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -45.44 -62.86 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.502 ' O ' HD21 ' A' ' 53' ' ' LEU . 11.6 mt-10 -42.32 -51.79 4.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.12 -40.37 43.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -62.39 -60.14 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.43 ' HG ' HG21 ' A' ' 102' ' ' ILE . 4.3 mt -38.7 -33.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -64.77 -50.94 64.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -68.15 -29.78 68.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -55.58 -44.64 77.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.703 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.1 mt -78.73 -44.75 22.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.3 m -55.71 -24.99 37.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.77 -39.5 10.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -114.4 63.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.19 125.47 35.05 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.54 0.686 . . . . 0.0 111.104 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.618 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.6 Cg_endo -69.81 102.16 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.54 -30.61 7.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.64 -65.27 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.457 ' HD3' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -128.55 -27.96 2.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.587 HD11 ' CE2' ' A' ' 91' ' ' PHE . 1.1 pt? -118.73 178.56 4.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.05 110.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.851 HD13 HD11 ' A' ' 38' ' ' LEU . 61.0 mt -81.12 83.37 6.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.72 -45.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.437 ' CG ' ' HB3' ' A' ' 38' ' ' LEU . 19.3 t0 -34.51 129.42 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' VAL . . . -65.72 -97.6 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.452 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.794 HG13 ' OD1' ' A' ' 79' ' ' ASP . 10.4 t -36.91 -64.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 0.0 111.174 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.851 HD11 HD13 ' A' ' 33' ' ' LEU . 2.2 tm? -35.77 -61.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.591 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -53.49 -37.5 56.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' VAL . 7.2 t80 -39.32 -32.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.355 . . . . 0.0 110.918 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.578 HD11 ' N ' ' A' ' 80' ' ' ALA . 14.4 mt -70.63 -59.82 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.54 ' HB2' HD12 ' A' ' 92' ' ' ILE . 16.7 t-160 -47.82 -46.77 31.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -63.56 -47.58 80.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.516 ' NE2' HD22 ' A' ' 76' ' ' LEU . 15.1 mt-30 -60.78 -69.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.696 HG23 HD22 ' A' ' 99' ' ' LEU . 97.7 mt -41.06 -56.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.618 HG21 ' HD3' ' A' ' 27' ' ' PRO . 18.7 t -47.97 -39.63 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -70.4 -39.29 74.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.7 mt -63.53 -50.55 69.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.703 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -43.84 -49.06 8.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -46.6 -51.81 14.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.23 -47.15 55.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 55' ' ' LYS . 6.2 t -46.38 -63.88 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.502 HD21 ' O ' ' A' ' 15' ' ' GLU . 47.8 mt -41.38 -57.97 2.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.25 -31.72 21.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.64 ' CB ' HG13 ' A' ' 61' ' ' VAL . 48.1 mmtt -76.44 -59.99 2.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.2 p -51.47 -37.3 48.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.13 -40.65 95.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.544 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -102.46 9.99 39.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.843 0.354 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.407 ' C ' HD23 ' A' ' 60' ' ' LEU . 77.5 m-20 61.66 49.84 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 60' ' ' LEU . 5.3 mt -99.92 -27.91 13.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.64 HG13 ' CB ' ' A' ' 55' ' ' LYS . 35.4 m -63.65 121.52 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 63' ' ' SER . 69.2 p -123.44 158.13 31.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.197 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 62' ' ' THR . 2.5 m -34.55 -51.99 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -58.65 -52.47 65.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.424 ' CE2' HG12 ' A' ' 61' ' ' VAL . 58.3 t80 -39.9 -62.32 0.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.583 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.6 m-85 -55.91 -59.05 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 mt -41.01 -52.63 3.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -69.15 -37.45 78.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.4 ttt -61.23 -35.48 77.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -64.75 -43.97 91.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -70.35 -36.46 74.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -62.92 -45.64 91.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.975 HD11 HD21 ' A' ' 100' ' ' LEU . 3.6 pp -77.08 -46.64 22.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.743 ' N ' HD12 ' A' ' 73' ' ' LEU . 12.5 mt-10 -48.13 -62.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -39.49 -55.78 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.516 HD22 ' NE2' ' A' ' 44' ' ' GLN . 91.8 mt -40.41 -41.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.783 HD13 HG11 ' A' ' 96' ' ' VAL . 20.9 tp -35.73 -39.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.543 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.5 pp0? -45.79 -49.49 15.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.794 ' OD1' HG13 ' A' ' 37' ' ' VAL . 5.9 m-20 -40.99 -37.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.578 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -80.98 -58.07 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.415 ' CD2' HG11 ' A' ' 89' ' ' VAL . 7.4 m170 -63.78 -7.42 7.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 78' ' ' GLN . 4.3 mm-40 -80.39 -64.18 1.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.559 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -107.62 -57.04 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.9 t -41.1 160.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' GLU . 0.6 OUTLIER -105.77 154.16 20.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 85' ' ' ASP . 51.7 p -37.03 -28.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ASP . 3.6 tp10 -66.06 -64.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -64.3 -33.0 74.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.672 ' O ' HG23 ' A' ' 93' ' ' VAL . 60.5 t -65.15 -31.65 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.0 t -55.97 -44.74 78.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.587 ' CE2' HD11 ' A' ' 31' ' ' LEU . 42.6 t80 -61.86 -59.91 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.631 HD11 ' CD1' ' A' ' 33' ' ' LEU . 30.7 mm -54.47 -44.9 69.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 89' ' ' VAL . 15.2 t -45.72 -48.08 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -52.08 -44.32 64.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 mp -62.94 -70.97 0.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.783 HG11 HD13 ' A' ' 77' ' ' LEU . 6.8 p -39.41 -36.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -75.16 -65.42 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 101' ' ' ILE . 9.4 mttm -41.84 -53.82 3.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.904 HD23 HD22 ' A' ' 73' ' ' LEU . 25.4 tp -39.99 -46.54 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.975 HD21 HD11 ' A' ' 73' ' ' LEU . 14.2 mt -69.41 -30.58 68.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 98' ' ' LYS . 8.2 mt -78.28 -25.11 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.43 HG21 ' HG ' ' A' ' 18' ' ' LEU . 13.0 mt -86.31 -58.69 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.608 HG23 ' O ' ' A' ' 99' ' ' LEU . 24.4 pt -52.34 -26.52 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 m -47.3 108.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.81 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.647 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 5.8 ttm-85 -45.0 -52.06 20.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.66 0.743 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.647 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.5 Cg_endo -69.79 -44.42 2.07 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.329 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 55.92 38.8 30.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -82.29 126.74 32.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.1 t -78.37 107.7 11.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -167.75 -173.43 35.81 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 147.45 62.69 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 t -84.33 174.26 10.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.1 t -162.02 158.15 24.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 p -77.65 -57.95 3.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.863 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -86.59 144.91 26.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.01 174.7 28.55 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.3 p -76.33 107.94 8.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.844 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -80.49 -60.85 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.07 135.24 40.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.34 67.97 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.325 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -132.16 -36.76 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.0 -34.7 7.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 p -101.48 9.73 41.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.98 -41.39 64.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 tp60 -72.65 -31.16 64.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 6.1 ttt -71.76 -58.07 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 17' ' ' ARG . 15.6 mt-10 -45.48 -59.79 2.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -37.78 -30.56 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.513 ' HB2' HG23 ' A' ' 102' ' ' ILE . 61.2 mtp180 -74.47 -67.45 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.367 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.775 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.6 mt -37.11 -32.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' ARG . 67.9 mt-30 -62.59 -50.82 69.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 17' ' ' ARG . 13.4 tt0 -68.01 -29.83 68.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -57.26 -46.85 82.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.511 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.6 mt -74.24 -43.17 58.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.3 m -57.91 -21.57 44.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.82 -19.54 15.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.728 ' HB3' HD21 ' A' ' 95' ' ' LEU . 23.4 m-85 -134.13 89.2 2.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.425 ' HB3' ' HD2' ' A' ' 30' ' ' ARG . . . -129.86 123.05 20.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 111.078 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.744 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.3 Cg_endo -69.82 123.16 9.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 0.0 112.322 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.21 -48.17 3.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.494 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.61 -32.61 59.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 111.103 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' HD2' ' HB3' ' A' ' 26' ' ' ALA . 0.6 OUTLIER -128.53 -70.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.886 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.62 HD11 ' CE2' ' A' ' 91' ' ' PHE . 4.0 pp -125.24 -174.62 3.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.455 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -161.73 178.32 9.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.927 HD13 HD11 ' A' ' 38' ' ' LEU . 9.2 mt -138.04 107.06 6.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -36.2 -48.74 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.442 ' CG ' ' HB3' ' A' ' 38' ' ' LEU . 44.1 t0 -43.68 128.97 5.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.26 -81.96 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.746 HG11 ' HD3' ' A' ' 83' ' ' ARG . 4.3 t -41.96 -63.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.927 HD11 HD13 ' A' ' 33' ' ' LEU . 2.0 tm? -35.92 -51.08 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.55 -39.38 94.94 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.466 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 37' ' ' VAL . 11.0 t80 -42.36 -27.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.899 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.599 HD11 ' HB2' ' A' ' 79' ' ' ASP . 10.4 mt -75.24 -54.0 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 -51.78 -44.84 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -65.84 -48.02 73.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.818 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.442 HE22 HD22 ' A' ' 76' ' ' LEU . 24.7 mt-30 -59.35 -59.34 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.556 HG23 HD22 ' A' ' 99' ' ' LEU . 79.6 mt -51.79 -67.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.744 HG21 ' HD3' ' A' ' 27' ' ' PRO . 12.5 t -35.61 -44.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -66.66 -42.57 86.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 45' ' ' ILE . 11.8 mt -59.14 -49.36 78.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.511 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -46.9 -46.33 21.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 50' ' ' ARG . 5.7 mmm180 -50.69 -50.65 54.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -48.79 -55.31 11.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.494 ' SG ' HG22 ' A' ' 103' ' ' ILE . 2.3 t -41.72 -62.91 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.775 HD21 ' HB2' ' A' ' 18' ' ' LEU . 62.6 mt -44.15 -59.55 2.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.8 -33.1 15.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.716 ' HB2' HG13 ' A' ' 61' ' ' VAL . 15.1 mmmt -75.88 -62.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 p -48.63 -40.99 29.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.11 -29.4 52.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.06 0.23 14.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.4 t30 71.23 42.77 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.413 HD23 ' N ' ' A' ' 60' ' ' LEU . 6.5 mt -93.95 -21.78 18.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.716 HG13 ' HB2' ' A' ' 55' ' ' LYS . 18.9 m -68.93 128.66 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 63' ' ' SER . 80.6 p -124.25 154.64 39.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 62' ' ' THR . 40.4 t -35.01 -45.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.463 ' NE ' ' HA ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -66.48 -52.29 47.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.495 ' CE2' HG12 ' A' ' 61' ' ' VAL . 85.3 t80 -35.04 -54.6 0.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 25.4 m-85 -60.79 -64.22 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.7 mp -35.01 -47.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 14.2 mm-40 -71.12 -39.73 71.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 66' ' ' PHE . 8.2 ttt -62.84 -55.85 22.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.601 HE21 HD22 ' A' ' 100' ' ' LEU . 19.0 mt-30 -44.89 -43.49 8.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 6.1 pt-20 -75.83 -32.07 59.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 32.0 mttm -66.27 -30.1 70.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.062 HD22 HD23 ' A' ' 99' ' ' LEU . 4.2 pp -96.54 -36.44 10.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.607 ' N ' HD12 ' A' ' 73' ' ' LEU . 13.7 mt-10 -57.33 -54.93 41.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -48.41 -56.16 8.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.442 HD22 HE22 ' A' ' 44' ' ' GLN . 91.1 mt -41.01 -40.81 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.847 HD13 HG11 ' A' ' 96' ' ' VAL . 32.0 tp -35.92 -38.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.519 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.8 pp0? -45.49 -49.7 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.657 ' OD1' HG13 ' A' ' 37' ' ' VAL . 6.6 m-20 -40.54 -39.18 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.598 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -79.92 -58.06 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.52 ' CE1' HD21 ' A' ' 77' ' ' LEU . 10.1 m170 -58.78 -11.09 2.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -84.43 -69.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.746 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -94.88 -53.16 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.703 ' HB3' HG22 ' A' ' 89' ' ' VAL . 3.9 t -50.19 155.66 0.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' GLU . 1.1 m-20 -107.78 153.06 23.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 85' ' ' ASP . 24.9 p -35.12 -31.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ASP . 7.1 tp10 -66.33 -65.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.501 ' CD ' ' CD2' ' A' ' 33' ' ' LEU . 5.4 mm-40 -62.76 -43.44 98.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.942 HG12 HG23 ' A' ' 93' ' ' VAL . 35.2 t -54.14 -45.57 66.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.5 t -39.7 -38.8 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.62 ' CE2' HD11 ' A' ' 31' ' ' LEU . 25.7 t80 -64.79 -58.06 7.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 95' ' ' LEU . 20.6 mm -60.47 -53.91 42.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.942 HG23 HG12 ' A' ' 89' ' ' VAL . 10.5 t -37.51 -42.09 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -58.98 -44.09 91.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.728 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.6 mp -64.13 -63.85 1.04 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.847 HG11 HD13 ' A' ' 77' ' ' LEU . 4.0 p -45.03 -36.6 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -75.8 -63.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 101' ' ' ILE . 10.1 mttm -43.64 -48.63 7.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 1.062 HD23 HD22 ' A' ' 73' ' ' LEU . 15.3 tp -46.39 -40.37 11.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.806 HD21 HD11 ' A' ' 73' ' ' LEU . 10.3 mt -75.24 -23.32 57.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 98' ' ' LYS . 6.9 mt -84.53 -21.75 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.655 HG21 ' HG ' ' A' ' 18' ' ' LEU . 15.4 mt -86.22 -62.88 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 21.3 pt -53.87 -34.0 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 103' ' ' ILE . 22.1 p -34.19 117.45 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.642 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 3.7 ttt85 -49.92 -52.17 54.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.562 0.696 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 54.1 Cg_endo -69.71 -45.06 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 46.14 45.55 12.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -109.55 107.71 17.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.2 t -83.33 -51.6 7.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.829 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 177.93 83.87 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 147.96 64.22 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.0 m -75.58 -43.19 49.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.899 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.9 m 52.84 51.23 16.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.493 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -63.92 -58.21 7.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.883 0.373 . . . . 0.0 110.909 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 p -110.25 155.48 21.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.802 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.93 176.32 41.03 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 m -101.41 -47.68 4.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 m -106.99 102.76 12.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.28 -155.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 152.37 69.31 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.318 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -121.58 -45.79 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.13 -44.16 3.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.617 HG22 ' HB3' ' A' ' 14' ' ' MET . 7.1 m -90.34 42.12 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.06 -60.29 2.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -46.34 -39.36 10.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.617 ' HB3' HG22 ' A' ' 11' ' ' THR . 6.7 ttt -58.06 -57.03 14.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -47.23 -50.71 20.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.72 -41.1 12.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.462 ' HB2' HG23 ' A' ' 102' ' ' ILE . 61.0 mtt-85 -63.33 -57.57 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.856 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.507 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.8 mt -39.68 -38.71 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -61.24 -51.33 69.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -65.62 -31.6 72.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -56.7 -45.58 81.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.1 mt -78.09 -46.62 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.1 m -50.05 -25.91 3.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.51 -40.01 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.072 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.755 ' HB3' HD21 ' A' ' 95' ' ' LEU . 14.7 m-85 -112.72 76.79 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.544 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . . . -116.81 124.13 29.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 111.094 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.656 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.1 Cg_endo -69.69 116.93 4.78 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.682 2.254 . . . . 0.0 112.388 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.96 -32.09 4.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.544 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . . . -46.09 -66.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.558 HH11 HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -128.74 -25.62 2.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.558 HD22 HH11 ' A' ' 30' ' ' ARG . 1.1 pt? -124.4 -177.15 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.41 145.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.016 HD13 ' CD1' ' A' ' 38' ' ' LEU . 13.7 mt -101.35 -48.13 4.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.38 25.06 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.507 ' HB3' HD12 ' A' ' 38' ' ' LEU . 59.8 t0 -95.96 38.51 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.66 -117.23 0.62 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.729 HG13 ' OD1' ' A' ' 79' ' ' ASP . 13.7 t -37.7 -69.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.172 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.016 ' CD1' HD13 ' A' ' 33' ' ' LEU . 2.1 tm? -36.67 -50.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.49 -37.66 95.05 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.414 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' VAL . 8.6 t80 -40.36 -34.13 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.619 HD11 ' HB2' ' A' ' 79' ' ' ASP . 14.1 mt -67.84 -60.69 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -47.25 -44.24 22.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.82 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -66.23 -43.81 85.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.424 ' NE2' HD22 ' A' ' 76' ' ' LEU . 8.3 mt-30 -64.14 -63.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.778 HG23 HD22 ' A' ' 99' ' ' LEU . 77.1 mt -46.03 -67.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.656 HG21 ' HD3' ' A' ' 27' ' ' PRO . 14.2 t -36.49 -45.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -65.18 -41.41 94.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 45' ' ' ILE . 16.6 mt -62.67 -51.87 65.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.575 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -45.09 -51.24 10.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -47.06 -53.52 12.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.2 -51.42 18.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.6 t -47.37 -55.1 9.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.507 HD21 ' HB2' ' A' ' 18' ' ' LEU . 21.8 mt -43.81 -62.7 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.13 -36.49 8.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.722 ' HB2' HG13 ' A' ' 61' ' ' VAL . 16.8 mmtp -69.16 -64.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.0 m -43.21 -42.8 4.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.0 -37.7 54.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.415 ' HB2' HD21 ' A' ' 60' ' ' LEU . 12.1 mm-40 -105.49 0.39 26.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 68.7 46.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.437 HD23 ' N ' ' A' ' 60' ' ' LEU . 5.9 mt -95.96 -24.95 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.722 HG13 ' HB2' ' A' ' 55' ' ' LYS . 18.9 m -65.34 123.98 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.155 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' SER . 44.7 p -123.88 161.28 25.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 62' ' ' THR . 22.2 p -35.1 -51.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' TYR . 5.0 tpt85 -58.61 -57.32 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.621 ' CE2' HG12 ' A' ' 61' ' ' VAL . 61.6 t80 -35.32 -48.85 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 20.5 m-85 -69.0 -63.69 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.4 mp -35.17 -47.2 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -72.19 -51.37 21.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.539 ' HG3' HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -47.88 -49.08 30.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -53.25 -45.3 68.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -71.16 -36.27 71.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -62.54 -41.71 99.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.008 HD22 HD23 ' A' ' 99' ' ' LEU . 3.8 pp -83.46 -43.16 16.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.681 ' N ' HD12 ' A' ' 73' ' ' LEU . 17.7 mt-10 -48.87 -64.36 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -40.58 -57.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 73' ' ' LEU . 83.9 mt -39.09 -40.61 0.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.888 HD13 HG11 ' A' ' 96' ' ' VAL . 32.3 tp -35.6 -41.42 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.533 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 5.1 pp0? -43.49 -48.52 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.729 ' OD1' HG13 ' A' ' 37' ' ' VAL . 5.2 m-20 -39.61 -38.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.531 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -82.9 -57.03 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.434 ' CD2' ' CG1' ' A' ' 89' ' ' VAL . 7.9 m170 -62.36 -7.95 5.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 78' ' ' GLN . 52.1 mm-40 -84.09 -62.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.645 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -106.15 -58.82 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.557 ' HB3' HG22 ' A' ' 89' ' ' VAL . 24.3 t -40.64 152.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.737 ' O ' HG23 ' A' ' 89' ' ' VAL . 8.5 t70 -97.77 157.79 15.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.0 p -40.12 -24.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 85' ' ' ASP . 2.9 mp0 -71.83 -66.34 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -63.5 -36.22 83.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 85' ' ' ASP . 21.7 t -60.29 -38.61 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.6 t -50.61 -48.55 57.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -54.61 -62.38 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.538 HD11 ' CD1' ' A' ' 33' ' ' LEU . 20.4 mm -52.53 -48.86 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 89' ' ' VAL . 49.9 t -42.67 -52.98 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -48.81 -45.35 40.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.755 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.8 mp -63.79 -72.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.888 HG11 HD13 ' A' ' 77' ' ' LEU . 6.0 p -38.58 -36.7 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -74.8 -64.51 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 101' ' ' ILE . 9.4 mttm -43.33 -51.09 6.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 1.008 HD23 HD22 ' A' ' 73' ' ' LEU . 31.0 tp -42.25 -46.14 4.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.006 HD21 HD11 ' A' ' 73' ' ' LEU . 12.2 mt -70.81 -27.18 63.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 98' ' ' LYS . 17.1 mt -77.45 -29.51 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.462 HG23 ' HB2' ' A' ' 17' ' ' ARG . 9.9 mt -81.02 -63.2 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.568 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 25.7 pt -51.27 -28.63 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.477 ' O ' ' C ' ' A' ' 105' ' ' ARG . 0.8 OUTLIER -40.38 119.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.551 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 10.2 tpp180 -31.15 -56.95 0.38 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.644 0.735 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.5 Cg_endo -69.78 -49.95 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.32 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 53.94 44.0 30.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.083 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.4 mtm-85 -81.8 146.06 30.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.2 t -68.22 -61.83 1.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -45.21 106.83 0.12 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 93.13 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.74 2.293 . . . . 0.0 112.292 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.7 t -79.54 -45.77 18.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.9 p 37.58 42.03 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 t -47.38 142.75 3.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.922 0.391 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -99.4 127.22 45.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.806 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.72 104.91 2.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.538 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.5 m -81.03 162.83 23.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.856 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p -52.46 143.35 15.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.36 93.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.516 ' HB2' ' HB2' ' A' ' 12' ' ' ALA . 53.2 Cg_endo -69.78 -163.5 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.719 2.28 . . . . 0.0 112.307 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -106.56 179.57 4.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.64 -41.96 67.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 p -49.94 -27.37 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' ' 8' ' ' PRO . . . -53.38 -60.57 3.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -58.41 -36.22 73.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' ARG . 5.6 ttt -62.83 -63.6 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.573 ' O ' HD21 ' A' ' 53' ' ' LEU . 20.5 mt-10 -38.58 -48.18 1.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.37 -38.54 62.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' MET . 73.9 mtt-85 -64.56 -57.44 9.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.855 0.359 . . . . 0.0 110.82 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mt -39.91 -40.36 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -58.02 -54.38 47.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -65.1 -32.55 74.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -54.83 -44.35 73.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.714 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.1 mt -78.02 -47.86 17.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.6 m -50.5 -26.1 4.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.39 -35.11 11.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.668 ' HB3' HD21 ' A' ' 95' ' ' LEU . 19.4 m-85 -114.3 69.31 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.404 ' HB3' ' CB ' ' A' ' 29' ' ' ALA . . . -110.76 121.87 39.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.68 ' HD3' HG21 ' A' ' 46' ' ' VAL . 54.0 Cg_endo -69.76 100.28 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.727 2.285 . . . . 0.0 112.283 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 113.46 -33.75 5.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 26' ' ' ALA . . . -46.57 -68.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 111.157 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.623 HH11 HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -125.07 -21.12 4.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.623 HD22 HH11 ' A' ' 30' ' ' ARG . 1.3 pt? -127.33 177.44 6.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.08 121.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.889 HD13 HD11 ' A' ' 38' ' ' LEU . 69.5 mt -88.23 85.95 7.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.2 -37.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 33' ' ' LEU . 9.4 m-20 -43.67 149.07 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' VAL . . . -86.23 -95.44 0.82 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.711 HG13 ' OD1' ' A' ' 79' ' ' ASP . 4.8 t -37.56 -64.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 111.133 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.889 HD11 HD13 ' A' ' 33' ' ' LEU . 1.5 tm? -35.7 -58.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.645 ' N ' HD13 ' A' ' 38' ' ' LEU . . . -56.1 -35.43 64.51 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.547 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 37' ' ' VAL . 6.1 t80 -40.74 -26.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.328 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.546 HD11 ' N ' ' A' ' 80' ' ' ALA . 10.1 mt -79.34 -55.17 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.693 ' O ' HG23 ' A' ' 46' ' ' VAL . 21.0 t-160 -49.57 -50.07 43.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -62.29 -49.34 76.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.683 HE22 HD22 ' A' ' 76' ' ' LEU . 15.0 mt-30 -56.73 -64.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.653 HG23 HD22 ' A' ' 99' ' ' LEU . 96.0 mt -48.23 -59.27 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 42' ' ' HIS . 55.4 t -41.76 -35.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -75.23 -40.37 59.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.2 mt -60.45 -46.94 88.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.714 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -49.1 -52.86 23.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -47.26 -52.86 14.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -46.61 -48.22 19.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 55' ' ' LYS . 4.1 t -51.12 -62.58 1.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.573 HD21 ' O ' ' A' ' 15' ' ' GLU . 18.3 mt -36.48 -59.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.92 -38.56 61.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.713 ' CB ' HG13 ' A' ' 61' ' ' VAL . 21.3 mmtm -64.83 -60.86 2.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.0 m -49.38 -42.24 41.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.26 -37.41 59.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -107.22 10.14 29.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.4 ' C ' HD23 ' A' ' 60' ' ' LEU . 5.0 m120 60.37 52.69 4.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.531 ' O ' HG23 ' A' ' 62' ' ' THR . 7.0 mt -103.41 -27.84 12.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.872 HG12 ' CE2' ' A' ' 65' ' ' TYR . 18.1 m -61.58 108.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 60' ' ' LEU . 35.2 p -115.54 164.37 14.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 62' ' ' THR . 14.4 t -34.45 -62.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -49.02 -49.1 42.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.872 ' CE2' HG12 ' A' ' 61' ' ' VAL . 35.7 t80 -43.49 -58.43 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.576 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 21.8 m-85 -63.79 -60.81 2.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' PHE . 14.1 mt -37.56 -53.33 1.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.48 -37.71 74.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -58.48 -37.98 76.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -69.68 -44.59 70.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -71.4 -26.59 62.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -72.97 -38.82 66.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.983 HD22 HD23 ' A' ' 99' ' ' LEU . 3.8 pp -86.44 -46.65 10.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.725 ' N ' HD12 ' A' ' 73' ' ' LEU . 16.4 mt-10 -44.04 -61.11 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -44.23 -53.96 6.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.683 HD22 HE22 ' A' ' 44' ' ' GLN . 85.8 mt -42.19 -40.39 2.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.78 HD13 HG11 ' A' ' 96' ' ' VAL . 30.9 tp -35.97 -35.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.522 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.5 pp0? -49.24 -49.69 42.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.711 ' OD1' HG13 ' A' ' 37' ' ' VAL . 9.0 m-20 -41.02 -34.77 0.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.837 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.562 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -84.97 -59.7 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.478 ' CE1' HD21 ' A' ' 77' ' ' LEU . 8.0 m170 -60.82 -8.9 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' GLN . 11.1 mm-40 -82.84 -68.18 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.63 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -101.02 -51.7 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.729 ' HB3' HG22 ' A' ' 89' ' ' VAL . 4.7 t -45.94 152.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.76 ' O ' HG23 ' A' ' 89' ' ' VAL . 27.1 t0 -99.65 154.29 18.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.486 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 16.2 m -38.59 -26.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 85' ' ' ASP . 28.4 tt0 -69.39 -66.05 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.55 -37.52 87.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 85' ' ' ASP . 17.9 t -58.3 -35.99 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.5 t -53.64 -47.81 69.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.579 ' CE2' HD11 ' A' ' 31' ' ' LEU . 31.2 t80 -55.16 -59.84 4.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.511 HD11 ' CD1' ' A' ' 33' ' ' LEU . 18.9 mm -56.09 -53.38 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.527 HG23 HG12 ' A' ' 89' ' ' VAL . 12.6 t -37.8 -46.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -53.84 -46.41 71.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.668 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.5 mp -62.83 -72.49 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.78 HG11 HD13 ' A' ' 77' ' ' LEU . 5.3 p -36.36 -36.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -76.07 -66.69 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 101' ' ' ILE . 8.7 mttm -41.77 -49.86 4.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.983 HD23 HD22 ' A' ' 73' ' ' LEU . 18.6 tp -42.51 -47.61 5.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.808 HD21 HD11 ' A' ' 73' ' ' LEU . 10.8 mt -69.58 -25.38 63.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 98' ' ' LYS . 6.7 mt -82.26 -18.99 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.8 mt -92.93 -63.17 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.576 ' HB ' ' CE1' ' A' ' 66' ' ' PHE . 28.9 pt -48.6 -26.29 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.9 m -62.47 112.53 2.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.638 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 4.7 ttt85 -48.94 -51.94 50.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.586 0.708 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.4 Cg_endo -69.83 168.95 20.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.697 2.264 . . . . 0.0 112.305 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -172.37 161.07 5.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -125.26 80.95 1.92 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.2 t -75.84 131.34 39.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 146.16 -169.97 27.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.67 5.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.677 2.251 . . . . 0.0 112.361 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.2 t -89.06 119.29 29.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 t -76.41 162.32 27.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -79.26 114.03 17.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t -121.93 -55.47 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.25 -103.49 2.17 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 m -83.35 -49.86 8.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.934 0.397 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 t 46.46 38.65 5.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.05 146.78 16.42 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 135.14 29.87 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.3 -32.04 6.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.35 -69.16 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.144 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.606 HG22 ' HB3' ' A' ' 14' ' ' MET . 2.7 m -112.04 77.14 1.02 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.64 -58.97 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -38.23 -63.06 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.606 ' HB3' HG22 ' A' ' 11' ' ' THR . 0.5 OUTLIER -39.54 -63.44 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' CG ' ' HB3' ' A' ' 56' ' ' SER . 20.5 mt-10 -37.38 -60.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.47 -40.91 3.9 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.431 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 18' ' ' LEU . 59.6 mtt-85 -64.12 -60.77 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.87 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.579 HD12 ' SD ' ' A' ' 14' ' ' MET . 9.5 mt -36.14 -38.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -60.52 -51.91 67.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 17' ' ' ARG . 8.9 tt0 -62.87 -30.1 71.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -61.04 -45.21 95.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.566 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.5 mt -75.94 -42.25 49.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.1 m -55.43 -22.28 19.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.55 -35.63 9.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.765 ' HB3' HD21 ' A' ' 95' ' ' LEU . 17.6 m-85 -118.2 92.54 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.76 129.85 23.48 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.789 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.7 Cg_endo -69.74 149.07 66.51 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.711 2.274 . . . . 0.0 112.314 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.83 -48.39 1.97 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.535 ' O ' ' N ' ' A' ' 31' ' ' LEU . . . -57.58 -170.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.743 0.306 . . . . 0.0 111.108 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.497 ' HD3' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -31.21 -35.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.634 HD11 ' CE2' ' A' ' 91' ' ' PHE . 5.3 tp -95.71 133.88 39.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -173.71 139.74 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.772 HD13 HD11 ' A' ' 38' ' ' LEU . 9.4 mt -118.48 109.46 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.05 -48.6 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.447 ' CG ' ' HB3' ' A' ' 38' ' ' LEU . 22.2 t0 -38.73 126.59 1.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.24 -82.27 0.2 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.453 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.689 HG13 ' OD1' ' A' ' 79' ' ' ASP . 9.6 t -42.44 -64.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 111.108 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.772 HD11 HD13 ' A' ' 33' ' ' LEU . 2.2 tm? -35.95 -53.25 0.76 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.77 -37.87 93.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.491 ' CD2' ' NE2' ' A' ' 44' ' ' GLN . 22.7 t80 -40.03 -29.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 110.878 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.611 HD11 ' HB2' ' A' ' 79' ' ' ASP . 8.1 mt -74.94 -53.94 15.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.565 ' CE1' ' CD2' ' A' ' 31' ' ' LEU . 16.1 t-160 -51.67 -43.66 62.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -68.39 -43.07 78.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.491 ' NE2' ' CD2' ' A' ' 40' ' ' PHE . 14.2 mt-30 -65.03 -64.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.651 HG23 HD22 ' A' ' 99' ' ' LEU . 89.1 mt -45.56 -59.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.789 HG21 ' HD3' ' A' ' 27' ' ' PRO . 15.1 t -43.69 -41.23 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.71 -44.77 76.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.2 mt -60.64 -34.82 74.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.566 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -60.48 -49.45 77.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -50.83 -50.02 57.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -51.31 -47.92 62.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.8 t -50.59 -48.14 57.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.431 HD21 ' HB2' ' A' ' 18' ' ' LEU . 20.4 mt -50.8 -62.62 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.19 -34.77 6.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.664 ' HB2' HG13 ' A' ' 61' ' ' VAL . 17.4 mmtp -69.24 -56.59 7.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.472 ' HB3' ' CG ' ' A' ' 15' ' ' GLU . 3.5 m -50.11 -41.55 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.435 ' N ' ' OE2' ' A' ' 15' ' ' GLU . . . -55.53 -41.2 80.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.497 ' HB2' HD21 ' A' ' 60' ' ' LEU . 3.3 mt-10 -99.13 -2.29 37.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 110.883 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.42 ' C ' HD23 ' A' ' 60' ' ' LEU . 19.3 t-20 69.42 50.17 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 58' ' ' GLU . 5.0 mt -99.47 -22.42 15.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.842 HG12 ' CE2' ' A' ' 65' ' ' TYR . 28.7 m -68.29 116.59 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 63' ' ' SER . 73.6 p -122.31 164.7 17.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.147 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 62' ' ' THR . 44.3 t -34.91 -51.83 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 65' ' ' TYR . 9.9 tpt180 -60.26 -57.39 12.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.842 ' CE2' HG12 ' A' ' 61' ' ' VAL . 29.0 t80 -35.9 -56.07 0.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.47 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 22.7 m-85 -59.88 -59.23 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' PHE . 3.5 mt -37.3 -60.83 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -57.04 -50.83 71.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.538 ' HG3' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -49.55 -34.91 18.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.407 ' CG ' HD22 ' A' ' 100' ' ' LEU . 21.4 mt-30 -70.02 -45.79 66.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -70.04 -27.09 64.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -75.2 -38.66 60.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.807 HD22 HD23 ' A' ' 99' ' ' LEU . 4.3 pp -84.84 -34.3 22.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.578 ' N ' HD12 ' A' ' 73' ' ' LEU . 12.3 mt-10 -58.92 -56.96 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -48.75 -55.13 12.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.447 HD22 HE22 ' A' ' 44' ' ' GLN . 95.7 mt -41.94 -39.97 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.757 HD13 HG11 ' A' ' 96' ' ' VAL . 32.3 tp -36.28 -39.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.541 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 5.2 pp0? -44.34 -48.2 9.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.689 ' OD1' HG13 ' A' ' 37' ' ' VAL . 5.4 m-20 -39.7 -39.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.559 ' HB1' HG13 ' A' ' 89' ' ' VAL . . . -84.43 -55.89 3.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.105 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.682 ' CE1' HD21 ' A' ' 77' ' ' LEU . 10.8 m170 -60.45 -9.43 3.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 78' ' ' GLN . 12.2 mt-10 -86.29 -63.04 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.583 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -101.2 -65.64 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.8 ' HB3' HG22 ' A' ' 89' ' ' VAL . 8.8 t -35.67 148.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.658 ' O ' HG23 ' A' ' 89' ' ' VAL . 10.7 m-20 -95.47 152.47 18.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 85' ' ' ASP . 13.6 t -32.48 -35.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -64.83 -66.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.429 ' CB ' ' OG ' ' A' ' 84' ' ' SER . 17.1 mp0 -59.86 -38.74 83.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.8 HG22 ' HB3' ' A' ' 84' ' ' SER . 6.5 t -64.38 -35.86 75.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.6 m -55.81 -25.95 44.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.634 ' CE2' HD11 ' A' ' 31' ' ' LEU . 78.8 t80 -76.1 -54.02 7.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.6 mm -62.31 -48.64 87.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.186 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.532 HG23 HG12 ' A' ' 89' ' ' VAL . 10.7 t -39.86 -41.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -57.96 -45.59 86.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.765 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.6 mp -61.88 -68.85 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.757 HG11 HD13 ' A' ' 77' ' ' LEU . 7.6 p -41.22 -36.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -73.58 -61.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 101' ' ' ILE . 12.5 mttm -45.07 -53.61 7.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.807 HD23 HD22 ' A' ' 73' ' ' LEU . 19.6 tp -40.78 -41.26 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.75 HD21 HD11 ' A' ' 73' ' ' LEU . 34.6 mt -73.59 -31.23 63.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.49 ' N ' ' O ' ' A' ' 98' ' ' LYS . 8.6 mt -77.95 -20.78 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.5 mt -90.49 -58.4 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.669 HG23 ' O ' ' A' ' 99' ' ' LEU . 12.4 pt -57.25 -29.08 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.6 m -60.92 109.93 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.641 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 6.3 ttm180 -44.48 -52.12 18.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.598 0.713 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.641 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 54.5 Cg_endo -69.72 168.09 22.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.717 2.278 . . . . 0.0 112.381 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -171.59 165.59 6.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -127.89 -55.17 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.1 m 60.54 39.88 17.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -94.76 -157.92 32.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.524 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 90.29 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.7 t -113.08 123.9 51.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.1 t -76.98 -54.18 6.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -106.14 -57.23 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 0.0 110.828 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.8 p -44.15 138.85 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.832 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.59 148.42 0.64 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -146.45 141.72 27.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.826 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.57 109.44 7.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.45 174.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.652 ' HB2' ' HB2' ' A' ' 12' ' ' ALA . 53.5 Cg_endo -69.81 -167.77 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -86.12 -179.85 6.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.6 -37.63 82.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.054 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.754 HG22 ' HB3' ' A' ' 14' ' ' MET . 13.3 m -96.91 30.16 2.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.195 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.652 ' HB2' ' HB2' ' A' ' 8' ' ' PRO . . . -58.46 -61.73 2.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' ALA . 39.6 tt0 -37.73 -56.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.754 ' HB3' HG22 ' A' ' 11' ' ' THR . 6.0 ttt -46.25 -61.24 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' MET . 43.4 mt-10 -38.31 -59.31 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -40.78 -37.35 1.3 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -67.69 -60.73 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.825 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.568 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.2 mt -40.43 -33.08 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -64.08 -49.61 71.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -64.75 -30.05 71.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -60.58 -49.29 78.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.697 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.7 mt -72.8 -43.58 62.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.44 ' O ' ' NH2' ' A' ' 30' ' ' ARG . 90.0 m -56.26 -21.6 24.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.35 -28.32 12.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.606 ' HB3' HD21 ' A' ' 95' ' ' LEU . 20.9 m-85 -122.48 87.5 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.19 127.68 21.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 111.076 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.569 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.7 Cg_endo -69.76 135.34 30.19 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.21 -48.69 2.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.63 -51.62 27.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.44 ' NH2' ' O ' ' A' ' 23' ' ' THR . 2.5 mtt-85 -115.79 -70.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.992 HD11 ' CZ ' ' A' ' 91' ' ' PHE . 2.5 pt? -119.23 176.81 5.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.92 146.01 10.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.915 HD13 HD11 ' A' ' 38' ' ' LEU . 21.3 mt -107.12 120.48 42.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.87 19.8 5.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.048 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.484 ' OD2' ' CB ' ' A' ' 38' ' ' LEU . 39.1 t0 -77.21 -4.11 43.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 37' ' ' VAL . . . 75.22 -116.02 4.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.438 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.517 HG13 ' CG ' ' A' ' 79' ' ' ASP . 2.3 t -36.81 -59.38 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 111.096 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.915 HD11 HD13 ' A' ' 33' ' ' LEU . 1.7 tm? -45.08 -42.77 8.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.15 -29.12 72.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -54.63 -24.43 21.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.615 HD11 ' CB ' ' A' ' 79' ' ' ASP . 7.1 mt -75.23 -49.96 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -53.66 -49.65 67.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -60.73 -44.17 96.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.619 HE22 HD22 ' A' ' 76' ' ' LEU . 11.7 mt-30 -62.13 -58.92 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.538 HG23 HD22 ' A' ' 99' ' ' LEU . 63.7 mt -52.58 -61.69 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.569 HG21 ' HD3' ' A' ' 27' ' ' PRO . 22.0 t -41.33 -35.35 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.29 -36.95 53.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' ILE . 12.5 mt -64.64 -45.43 86.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.697 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -51.95 -47.22 64.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.072 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 43.1 mtp85 -50.17 -50.52 48.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -49.17 -46.87 46.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.5 t -52.19 -49.35 64.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.568 HD21 ' HB2' ' A' ' 18' ' ' LEU . 35.5 mt -54.06 -56.45 17.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.7 -37.52 63.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.734 ' CB ' HG13 ' A' ' 61' ' ' VAL . 26.0 mmtm -66.62 -62.73 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.2 t -49.52 -42.77 44.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -52.43 -24.44 16.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -119.83 -0.61 10.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 t30 73.57 39.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 mt -90.97 -24.47 20.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.734 HG13 ' CB ' ' A' ' 55' ' ' LYS . 21.0 m -68.35 121.68 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.145 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 63' ' ' SER . 62.1 p -120.25 156.73 30.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.686 ' O ' HD23 ' A' ' 67' ' ' LEU . 32.0 t -36.19 -44.02 0.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 65' ' ' TYR . 11.5 tpp180 -68.72 -51.86 36.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.581 ' CE2' HG12 ' A' ' 61' ' ' VAL . 86.3 t80 -35.54 -53.89 0.68 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 69' ' ' MET . 23.5 m-85 -61.09 -60.05 4.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 63' ' ' SER . 3.5 mm? -34.32 -54.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -66.18 -37.53 85.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 66' ' ' PHE . 19.8 ttt -63.28 -33.54 75.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -68.57 -32.91 73.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -84.26 -26.74 28.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -73.48 -29.05 62.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.835 HD11 HD21 ' A' ' 100' ' ' LEU . 4.0 pp -94.39 -42.24 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.967 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.689 ' N ' HD12 ' A' ' 73' ' ' LEU . 17.1 mt-10 -55.27 -57.1 13.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -45.68 -55.34 6.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.619 HD22 HE22 ' A' ' 44' ' ' GLN . 95.9 mt -42.58 -41.42 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.803 HD13 HG11 ' A' ' 96' ' ' VAL . 26.4 tp -35.78 -35.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.474 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.2 pp0? -47.49 -52.14 18.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.615 ' CB ' HD11 ' A' ' 41' ' ' ILE . 9.9 m-20 -43.51 -29.53 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.591 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -88.75 -55.42 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.083 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.502 ' CD2' ' HG ' ' A' ' 77' ' ' LEU . 13.1 m170 -62.65 -7.78 5.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -86.0 -61.48 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.485 ' O ' ' C ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -102.16 -73.39 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.853 ' OG ' HG22 ' A' ' 89' ' ' VAL . 5.1 p -31.11 144.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.813 ' O ' HG23 ' A' ' 89' ' ' VAL . 0.6 OUTLIER -94.69 158.43 15.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 85' ' ' ASP . 40.8 t -36.24 -28.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 85' ' ' ASP . 3.0 tp10 -71.16 -60.73 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -65.54 -29.26 69.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.9 HG12 HG23 ' A' ' 93' ' ' VAL . 15.7 t -65.17 -48.43 83.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.161 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 89' ' ' VAL . 8.6 t -36.93 -48.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.992 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 10.2 t80 -52.58 -66.98 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 93' ' ' VAL . 5.4 mm -54.7 -57.97 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.9 HG23 HG12 ' A' ' 89' ' ' VAL . 7.7 t -35.79 -51.05 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.062 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -51.43 -47.19 63.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.606 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.1 mp -63.7 -70.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.803 HG11 HD13 ' A' ' 77' ' ' LEU . 3.0 p -36.1 -37.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.617 HH11 HD11 ' A' ' 101' ' ' ILE . 7.7 ttm-85 -77.85 -61.79 1.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 101' ' ' ILE . 27.4 mttp -44.07 -48.89 8.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.702 HD23 HD22 ' A' ' 73' ' ' LEU . 13.4 tp -45.02 -44.99 10.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.835 HD21 HD11 ' A' ' 73' ' ' LEU . 10.2 mt -71.17 -24.2 62.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.617 HD11 HH11 ' A' ' 97' ' ' ARG . 10.0 mt -80.67 -19.25 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.6 mt -93.87 -63.05 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.554 HG23 ' O ' ' A' ' 99' ' ' LEU . 6.2 pt -50.35 -30.8 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.161 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.0 m -50.58 110.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.637 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 2.2 tmt_? -49.08 -52.49 47.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.637 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 53.3 Cg_endo -69.77 83.21 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -147.33 145.71 29.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -146.04 113.12 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.4 t -48.71 -60.03 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.46 95.0 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 0.82 5.09 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.2 m -115.76 144.6 43.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.5 m -96.53 -50.18 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 m -139.94 131.74 27.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.866 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 t -151.33 169.86 20.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.81 84.34 0.14 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 6' ' ' SER . 35.5 p -57.26 -50.79 71.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.866 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 5' ' ' SER . 78.6 p 35.59 42.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.856 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.75 124.17 4.1 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 116.93 4.79 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.661 2.241 . . . . 0.0 112.316 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -103.55 45.61 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -167.61 116.33 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 47.9 46.8 18.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.28 -56.11 3.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -41.16 -58.52 1.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.8 ttp -42.04 -55.58 3.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -44.64 -57.39 3.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.59 -40.52 11.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -63.35 -55.74 22.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.565 ' HG ' HG21 ' A' ' 102' ' ' ILE . 3.9 mt -46.89 -32.34 3.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -63.9 -56.85 12.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -59.72 -31.47 69.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -55.98 -46.77 78.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.513 HD21 ' HB3' ' A' ' 49' ' ' ALA . 1.7 mt -75.31 -46.35 33.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.0 m -52.21 -23.29 5.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.46 -30.68 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.665 ' HB3' HD21 ' A' ' 95' ' ' LEU . 19.2 m-85 -123.09 100.65 6.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -149.17 138.22 12.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.554 0.692 . . . . 0.0 111.102 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.7 Cg_endo -69.74 128.48 16.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 29' ' ' ALA . . . 75.54 -58.73 2.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.922 ' HB1' ' NH1' ' A' ' 30' ' ' ARG . . . -34.86 -63.51 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.781 0.324 . . . . 0.0 111.077 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.922 ' NH1' ' HB1' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -100.37 -64.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.877 ' H ' HD23 ' A' ' 31' ' ' LEU . 2.0 pt? -121.72 -176.96 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.03 130.9 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.83 HD13 HD11 ' A' ' 38' ' ' LEU . 33.8 mt -100.78 96.68 7.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.54 -26.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 33' ' ' LEU . 7.8 t0 -55.09 136.97 47.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.827 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.17 -83.51 0.58 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.453 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.733 HG13 ' OD1' ' A' ' 79' ' ' ASP . 4.5 t -46.09 -61.05 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 111.107 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.83 HD11 HD13 ' A' ' 33' ' ' LEU . 2.3 tm? -39.96 -47.39 2.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' ILE . . . -64.48 -39.63 97.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.446 ' CD2' ' NE2' ' A' ' 44' ' ' GLN . 40.5 t80 -40.6 -24.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.626 HD11 ' CB ' ' A' ' 79' ' ' ASP . 6.4 mt -81.44 -49.78 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -55.79 -47.88 76.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -62.47 -46.33 88.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.723 HE22 HD22 ' A' ' 76' ' ' LEU . 14.7 mt-30 -59.36 -66.78 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.553 HG23 HD22 ' A' ' 99' ' ' LEU . 96.6 mt -45.26 -67.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.413 HG21 ' HD3' ' A' ' 27' ' ' PRO . 17.5 t -37.21 -38.85 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -74.01 -39.99 63.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 45' ' ' ILE . 13.2 mt -61.92 -52.36 64.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.513 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -43.16 -47.02 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.058 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.4 mtp85 -48.05 -51.0 26.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.08 -48.91 43.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 t -51.23 -47.77 62.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.4 mt -53.22 -59.54 4.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.04 -35.77 59.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.733 ' CB ' HG13 ' A' ' 61' ' ' VAL . 25.6 mmtm -69.63 -67.37 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.3 t -44.69 -40.22 5.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.05 -35.23 53.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.448 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -111.08 8.43 21.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 65.32 46.22 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mt -96.86 -21.06 17.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.733 HG13 ' CB ' ' A' ' 55' ' ' LYS . 26.5 m -73.75 128.12 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' SER . 43.8 p -129.34 165.87 20.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.413 ' O ' HD12 ' A' ' 67' ' ' LEU . 13.2 t -36.72 -58.61 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 65' ' ' TYR . 7.9 tpt180 -53.61 -56.89 13.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.658 ' CE2' HG12 ' A' ' 61' ' ' VAL . 85.1 t80 -35.01 -52.2 0.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.489 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 23.6 m-85 -67.86 -61.04 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.6 mp -34.75 -49.67 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -72.59 -52.87 13.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.6 ttt -44.71 -41.32 6.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -61.53 -45.84 92.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -72.52 -26.43 61.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -73.36 -35.83 66.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.05 HD22 HD23 ' A' ' 99' ' ' LEU . 4.3 pp -90.41 -36.98 14.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.701 ' N ' HD12 ' A' ' 73' ' ' LEU . 13.7 mt-10 -56.52 -61.37 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -41.81 -52.4 4.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.723 HD22 HE22 ' A' ' 44' ' ' GLN . 71.0 mt -43.48 -43.69 5.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.879 HD13 HG11 ' A' ' 96' ' ' VAL . 17.4 tp -36.14 -34.3 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.534 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 5.0 pp0? -48.13 -51.17 25.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.733 ' OD1' HG13 ' A' ' 37' ' ' VAL . 4.8 m-20 -40.44 -38.7 0.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.579 ' N ' HD11 ' A' ' 41' ' ' ILE . . . -78.66 -58.79 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -61.34 -8.18 3.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' GLN . 2.8 mm-40 -85.6 -54.28 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.635 ' HD3' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -112.8 -63.59 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 83' ' ' ARG . 23.1 t -37.18 155.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.841 ' O ' HG23 ' A' ' 89' ' ' VAL . 23.7 m-20 -102.85 152.48 21.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.7 p -38.59 -26.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 85' ' ' ASP . 7.4 pt-20 -69.32 -56.91 6.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.464 ' OE1' ' CD2' ' A' ' 33' ' ' LEU . 17.9 mm-40 -73.48 -30.45 63.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.869 HG12 HG23 ' A' ' 93' ' ' VAL . 16.2 t -59.25 -48.22 87.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 89' ' ' VAL . 18.5 t -37.21 -50.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.804 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.83 ' CZ ' HD11 ' A' ' 31' ' ' LEU . 21.9 t80 -52.57 -67.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 93' ' ' VAL . 4.7 mm -52.83 -57.09 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.869 HG23 HG12 ' A' ' 89' ' ' VAL . 4.1 t -36.18 -49.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -53.42 -48.17 68.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.665 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.5 mp -59.17 -69.2 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.879 HG11 HD13 ' A' ' 77' ' ' LEU . 2.7 p -39.54 -38.44 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.634 ' HE ' HD11 ' A' ' 101' ' ' ILE . 4.7 ttt180 -73.07 -66.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 101' ' ' ILE . 12.9 mttm -40.18 -54.47 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 1.05 HD23 HD22 ' A' ' 73' ' ' LEU . 14.9 tp -40.09 -45.43 1.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.798 HD21 HD11 ' A' ' 73' ' ' LEU . 10.8 mt -71.0 -32.4 69.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.634 HD11 ' HE ' ' A' ' 97' ' ' ARG . 3.0 mt -73.94 -23.44 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.565 HG21 ' HG ' ' A' ' 18' ' ' LEU . 12.8 mt -87.89 -60.85 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.655 HG23 ' O ' ' A' ' 99' ' ' LEU . 6.2 pt -53.59 -27.55 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.426 ' C ' ' HD2' ' A' ' 106' ' ' PRO . 60.9 p -50.09 113.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.641 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 1.6 tmt_? -40.04 -52.44 5.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.559 0.695 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.641 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 54.2 Cg_endo -69.72 114.63 3.76 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -170.86 122.51 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.0 mmt-85 -124.67 176.49 6.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.9 t -99.03 -50.61 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 142.43 73.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 97.28 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.744 2.296 . . . . 0.0 112.302 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.8 m -110.13 121.01 44.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 51.0 p -69.01 -49.45 57.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.829 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -157.46 140.33 15.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m -113.28 112.03 23.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.16 -115.04 4.22 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -161.56 112.19 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.847 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -59.13 169.25 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.814 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.88 132.45 11.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 105.54 1.5 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -88.73 -53.86 4.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.95 -21.61 13.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 p -78.21 -26.35 47.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -47.79 -70.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.457 ' CG ' ' N ' ' A' ' 14' ' ' MET . 9.4 pt20 -50.71 -46.86 59.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.457 ' N ' ' CG ' ' A' ' 13' ' ' GLN . 4.8 ttt -49.76 -56.97 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -46.48 -48.56 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.05 -29.44 35.64 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HB2' HG23 ' A' ' 102' ' ' ILE . 70.5 mtp180 -72.43 -61.27 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.526 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.4 mt -37.49 -34.93 0.11 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -62.86 -55.69 24.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -61.61 -31.57 71.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -56.47 -47.25 79.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.583 HD13 ' HD3' ' A' ' 50' ' ' ARG . 1.4 mt -75.83 -47.12 26.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.5 m -49.75 -23.25 1.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.81 -32.9 10.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.64 ' HB3' HD21 ' A' ' 95' ' ' LEU . 17.4 m-85 -113.66 71.56 0.75 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.431 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . . . -115.3 120.5 36.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 111.114 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.446 ' HD3' HG21 ' A' ' 46' ' ' VAL . 53.1 Cg_endo -69.8 122.53 9.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.248 . . . . 0.0 112.321 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.29 -31.19 4.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . . . -51.13 -68.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 0.0 111.07 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -125.4 -23.51 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' N ' ' HD3' ' A' ' 30' ' ' ARG . 1.2 pt? -128.2 -179.96 5.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.14 142.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.711 HD13 ' CD1' ' A' ' 38' ' ' LEU . 25.9 mt -104.92 111.97 24.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.43 -17.98 64.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 36' ' ' GLY . 8.1 t70 -47.04 169.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 35' ' ' ASP . . . -86.19 -121.27 1.24 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.499 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.495 HG12 ' HG3' ' A' ' 83' ' ' ARG . 0.4 OUTLIER -44.18 -38.35 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 111.12 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.735 ' C ' HD13 ' A' ' 38' ' ' LEU . 2.4 tm? -37.1 -54.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.78 -36.53 55.3 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 37' ' ' VAL . 4.9 t80 -45.34 -31.59 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.718 HD11 ' HB2' ' A' ' 79' ' ' ASP . 12.2 mt -74.5 -57.12 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -48.14 -48.99 33.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -63.26 -47.55 81.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.715 HE22 HD22 ' A' ' 76' ' ' LEU . 14.4 mt-30 -57.12 -60.25 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.638 HG23 HD22 ' A' ' 99' ' ' LEU . 84.5 mt -50.83 -64.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.446 HG21 ' HD3' ' A' ' 27' ' ' PRO . 25.2 t -40.73 -41.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -68.91 -42.42 76.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.7 mt -60.75 -55.15 36.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.966 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.535 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -40.2 -49.17 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.583 ' HD3' HD13 ' A' ' 22' ' ' LEU . 32.0 mmm-85 -47.84 -51.47 22.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.76 -43.94 38.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.9 t -51.52 -62.35 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.526 HD21 ' HB2' ' A' ' 18' ' ' LEU . 21.3 mt -43.82 -58.9 2.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.52 -26.6 5.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.157 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.662 ' CB ' HG13 ' A' ' 61' ' ' VAL . 25.1 mmtm -84.44 -61.55 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.7 t -48.23 -34.89 10.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.48 -35.76 89.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -108.03 5.54 26.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.405 ' C ' HD23 ' A' ' 60' ' ' LEU . 2.7 t-20 66.82 47.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' ' 60' ' ' LEU . 5.6 mt -100.17 -12.5 19.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.662 HG13 ' CB ' ' A' ' 55' ' ' LYS . 35.5 m -82.67 122.47 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 63' ' ' SER . 68.0 p -123.39 162.87 21.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 62' ' ' THR . 4.5 t -34.64 -57.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 65' ' ' TYR . 17.3 tpp180 -54.1 -55.96 22.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.573 ' CE2' HG12 ' A' ' 61' ' ' VAL . 76.3 t80 -35.36 -61.65 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.473 ' CE1' ' HB ' ' A' ' 103' ' ' ILE . 23.2 m-85 -56.48 -64.09 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.6 mp -34.47 -53.57 0.52 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.41 -40.85 89.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 66' ' ' PHE . 13.7 ttt -57.84 -43.82 86.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -59.74 -63.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -52.18 -30.05 25.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -68.64 -59.35 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.858 HD11 HD21 ' A' ' 100' ' ' LEU . 2.2 pp -66.78 -53.96 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.751 ' N ' HD12 ' A' ' 73' ' ' LEU . 26.5 mt-10 -43.06 -57.27 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -43.88 -54.81 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.715 HD22 HE22 ' A' ' 44' ' ' GLN . 71.7 mt -40.76 -39.14 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.676 HD13 HG11 ' A' ' 96' ' ' VAL . 34.4 tp -35.88 -37.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.446 ' NE2' ' CG ' ' A' ' 79' ' ' ASP . 4.1 pp0? -46.08 -48.96 16.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.718 ' HB2' HD11 ' A' ' 41' ' ' ILE . 8.7 m-20 -45.26 -40.84 7.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.486 ' HA ' HD23 ' A' ' 38' ' ' LEU . . . -77.94 -55.75 5.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.642 ' CE1' HD21 ' A' ' 77' ' ' LEU . 13.7 m170 -60.7 -9.18 3.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -87.55 -67.81 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.495 ' HG3' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -95.28 -68.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 83' ' ' ARG . 41.1 t -33.15 141.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 87' ' ' GLU . 19.0 t70 -89.17 152.86 21.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 85' ' ' ASP . 87.1 p -36.36 -30.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ASP . 4.4 tm-20 -65.09 -60.46 3.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -68.47 -42.72 78.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.499 HG12 HG23 ' A' ' 93' ' ' VAL . 58.6 t -53.21 -47.22 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -42.89 -42.68 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -59.9 -68.89 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.0 mm -47.74 -49.41 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.499 HG23 HG12 ' A' ' 89' ' ' VAL . 10.2 t -41.46 -47.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -53.6 -46.17 70.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.64 HD21 ' HB3' ' A' ' 25' ' ' TYR . 4.3 mp -63.34 -70.34 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.676 HG11 HD13 ' A' ' 77' ' ' LEU . 5.6 p -36.14 -37.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -77.22 -61.07 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 101' ' ' ILE . 27.5 mttp -45.38 -52.22 10.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.81 HD23 HD22 ' A' ' 73' ' ' LEU . 14.8 tp -44.89 -36.5 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.858 HD21 HD11 ' A' ' 73' ' ' LEU . 16.6 mt -78.02 -27.51 48.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' LYS . 12.3 mt -79.65 -16.63 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.433 HG21 ' HG ' ' A' ' 18' ' ' LEU . 9.5 mt -95.99 -62.69 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.671 HG23 ' O ' ' A' ' 99' ' ' LEU . 16.0 pt -48.75 -29.7 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 m -53.0 113.39 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.634 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -52.38 -52.1 66.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.601 0.715 . . . . 0.0 110.909 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 54.0 Cg_endo -69.77 136.95 34.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 0.0 112.363 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -174.29 156.42 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.4 mmm-85 -148.8 158.27 44.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.3 m -110.61 129.22 55.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 167.7 146.68 5.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 96.0 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 31.9 t -47.39 107.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.8 p -61.68 153.2 28.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.994 . . . . . . . . 0 0 . 1 stop_ save_