data_2crp_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 2crp _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.944 0.402 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -57.51 11.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -54.9 -13.87 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 24' ' ' GLN . 6.0 tp10 -91.46 -58.28 2.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.17 -33.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.201 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mt -72.64 -37.19 68.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' GLU . 34.7 mt-30 -54.43 -22.62 13.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.524 ' CE3' ' CD1' ' A' ' 32' ' ' LEU . 51.9 m0 -72.57 -23.56 60.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -69.32 -42.48 75.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.62 -59.09 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 m -130.13 132.6 46.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.462 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 7.1 tp -57.7 -42.14 83.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -39.39 -60.86 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -39.03 -41.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.524 ' CD1' ' CE3' ' A' ' 25' ' ' TRP . 28.2 tp -64.27 -66.32 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.486 HD13 ' CE2' ' A' ' 58' ' ' TRP . 70.3 mt -47.47 -47.65 27.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.984 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -52.92 -44.85 67.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -71.58 123.29 22.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -55.3 -45.04 76.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.74 -58.36 8.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.7 -40.48 88.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.01 -62.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.0 -50.64 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.081 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -67.16 -45.1 78.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.446 ' CG ' HD22 ' A' ' 32' ' ' LEU . 21.3 t80 -51.96 -45.82 64.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -54.59 -64.46 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.9 t -41.29 -49.2 3.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -47.41 -49.98 23.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 89.8 mt -62.59 -53.3 56.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -39.96 -38.89 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.8 t -74.35 -39.02 63.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.548 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 23.3 mm-40 -86.62 18.72 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 35.5 p90 45.75 28.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.74 25.65 10.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.99 -19.21 63.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.0 pm0 -66.0 -25.68 67.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.478 ' ND2' HD23 ' A' ' 125' ' ' LEU . 21.2 m-20 -64.47 -47.27 79.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.483 ' HB2' ' CD1' ' A' ' 46' ' ' LEU . 1.2 tt -69.74 -43.66 71.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -44.18 -59.17 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -48.26 -34.04 9.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.486 ' CE2' HD13 ' A' ' 33' ' ' LEU . 55.2 t90 -70.03 -60.27 2.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.481 ' CD1' HD21 ' A' ' 55' ' ' LEU . 27.6 mt -48.58 -48.6 14.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.87 -47.86 79.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 58.8 m -46.83 -56.66 5.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -56.91 -44.15 82.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.95 -17.03 61.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.582 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -90.95 -32.18 16.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -62.54 -34.05 76.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -82.58 21.77 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.494 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 33.2 mt -98.69 111.27 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 69' ' ' SER . 2.5 pptp? -91.33 -34.69 14.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.439 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 3.3 m -45.43 131.8 6.12 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.621 0.724 . . . . 0.0 110.845 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -23.75 30.29 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -89.94 -44.5 9.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.494 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 2.4 tptm -62.79 -50.31 71.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 10.0 mtp -44.26 -37.79 3.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.62 -60.67 1.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -49.05 -57.16 7.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -49.77 -43.58 48.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.38 -50.79 38.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.028 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -60.76 -33.93 73.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -58.74 -53.96 52.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.4 mt -58.11 -33.16 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.605 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -73.72 -46.22 47.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.471 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 5.0 mm-40 -66.4 -8.34 25.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 10.3 tt0 -103.83 -51.59 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.471 ' C ' ' H ' ' A' ' 86' ' ' GLN . 70.8 m-85 -103.21 -54.5 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.534 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -77.01 25.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.179 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.471 ' HB2' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -105.21 147.6 27.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.418 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 21.8 m -53.65 127.24 24.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 44.72 33.64 1.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -51.87 162.78 0.73 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.623 0.725 . . . . 0.0 111.078 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -33.11 17.42 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.676 2.25 . . . . 0.0 112.338 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 92' ' ' GLU . 11.1 mtpp -121.55 14.79 11.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 91' ' ' LYS . 37.7 tt0 -36.38 105.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.8 m -63.58 177.53 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -91.61 96.58 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.3 pt -144.68 112.77 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -51.44 164.08 0.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -53.11 -34.38 56.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -52.15 -70.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 48.3 m -59.26 -48.06 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.188 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.13 -51.64 17.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -55.67 -46.95 77.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.6 mm -43.51 -66.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.562 HG21 ' CE2' ' A' ' 115' ' ' PHE . 70.2 m -39.9 -53.16 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mtp -46.71 -56.46 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -60.88 -19.13 59.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -92.66 6.06 48.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.587 HD12 ' CD2' ' A' ' 81' ' ' TYR . 37.1 mt -92.18 -2.45 56.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.7 t -78.0 -58.39 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.506 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 8.3 mt-10 -122.78 50.38 2.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.604 0.716 . . . . 0.0 110.775 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.4 Cg_endo -69.66 137.81 36.64 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.704 2.269 . . . . 0.0 112.383 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.9 m -131.93 -68.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.0 mt -133.4 -45.22 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 72.8 m -90.11 22.19 3.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.6 p -55.22 -42.15 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.562 ' CE2' HG21 ' A' ' 103' ' ' THR . 95.6 m-85 -108.87 38.28 2.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -63.13 -50.87 68.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 5.4 tpp -67.85 -58.74 4.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -46.99 -43.46 19.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.01 -57.71 10.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -61.33 -27.19 68.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.422 ' HD2' ' C ' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -66.66 -56.59 9.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.808 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 12.0 mm -65.99 -42.63 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -55.94 -37.11 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.72 -22.08 61.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.478 HD23 ' ND2' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -83.38 -42.8 16.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.443 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 41.0 mtm -71.79 -11.14 60.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.462 ' CB ' ' HB2' ' A' ' 29' ' ' LEU . 4.8 pt-20 -98.58 -24.67 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.823 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.42 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -110.96 -4.27 15.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 13.0 t70 -116.11 -65.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 134' ' ' PHE . 4.3 m -76.11 -55.23 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.59 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 4.4 tp -38.17 -54.29 2.67 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.61 0.719 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.9 Cg_endo -69.7 -21.98 33.0 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.375 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 130' ' ' SER . 74.4 mtt180 -94.43 -13.28 26.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 130' ' ' SER . 26.3 t80 -85.6 -37.57 19.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.518 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 24.5 m -63.53 -37.29 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -66.99 -31.36 71.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.5 p -68.32 165.63 18.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 139' ' ' PHE . 0.8 OUTLIER -62.82 -49.01 76.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.466 ' C ' ' O ' ' A' ' 138' ' ' GLU . 65.1 m-85 -32.5 -37.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.518 ' CG ' ' HA ' ' A' ' 135' ' ' VAL . 54.2 t80 -82.16 -49.95 9.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 138' ' ' GLU . 67.2 mm-40 -47.54 -32.79 5.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -79.03 -26.05 43.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 140' ' ' TYR . 25.0 mt -74.38 -32.95 62.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 30.2 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.883 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.896 0.379 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.413 HD22 ' CB ' ' A' ' 144' ' ' ILE . 0.4 OUTLIER -52.23 -58.83 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.942 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -51.77 -16.68 0.72 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.829 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' GLN . 9.3 tt0 -88.73 -58.11 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.548 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -42.31 -31.68 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.026 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mt -73.47 -36.8 65.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' GLU . 45.7 mt-30 -55.7 -23.07 26.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.548 ' CE3' ' HA ' ' A' ' 22' ' ' ALA . 33.9 m0 -70.81 -19.47 62.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -78.44 -45.78 21.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -53.12 -57.07 11.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -131.45 136.05 47.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.486 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 19.9 tp -55.56 -47.46 76.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 31' ' ' LYS . 14.0 t0 -40.05 -62.36 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.407 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -38.24 -33.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.464 ' HA ' ' CD1' ' A' ' 25' ' ' TRP . 28.6 tp -76.24 -61.95 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.442 HD21 ' CD1' ' A' ' 39' ' ' LEU . 78.1 mt -50.62 -51.75 45.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -50.16 -45.29 53.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -70.69 123.71 22.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -56.8 -46.38 81.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -59.86 -55.15 37.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.93 -41.7 97.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.442 ' CD1' HD21 ' A' ' 33' ' ' LEU . 31.6 tp -60.71 -62.99 1.46 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.833 0.349 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.0 -55.21 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.8 p -61.26 -46.11 91.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.793 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -50.99 -39.14 54.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -61.35 -62.77 1.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 t -41.34 -43.72 2.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -55.53 -48.6 74.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 93.7 mt -64.88 -57.28 9.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -43.18 -48.46 6.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -66.27 -38.54 88.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -84.1 -1.68 55.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' LEU . 35.9 m-85 65.39 35.74 7.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.421 ' C ' ' HB3' ' A' ' 46' ' ' LEU . 38.4 m -128.72 33.11 4.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -76.23 -25.08 54.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 pm0 -54.59 -31.59 57.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.47 ' ND2' HD23 ' A' ' 125' ' ' LEU . 2.8 m-20 -62.92 -48.47 78.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 46' ' ' LEU . 1.1 tt -71.21 -45.97 62.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -43.26 -55.91 3.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -50.44 -32.99 19.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -73.22 -59.96 2.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.422 HG13 ' CD2' ' A' ' 55' ' ' LEU . 36.6 mt -48.84 -47.74 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.066 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.35 -52.48 63.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.104 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.6 m -45.14 -64.11 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -47.61 -43.6 25.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -63.94 -24.53 67.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.59 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -83.18 -19.36 36.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.767 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -70.92 -32.79 69.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -81.48 18.46 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.461 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 21.4 mt -94.92 105.0 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -89.29 -34.84 16.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.451 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 1.8 m -47.29 136.35 9.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.651 0.739 . . . . 0.0 110.837 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -24.68 29.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.28 -58.37 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.057 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.461 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -49.11 -50.56 36.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.458 ' N ' HG23 ' A' ' 67' ' ' ILE . 8.8 mtp -45.09 -37.59 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.51 -59.33 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -51.46 -59.66 4.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.421 ' HB2' ' NZ ' ' A' ' 72' ' ' LYS . 20.3 tptm -45.79 -47.17 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.0 -48.28 32.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -60.84 -30.39 70.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -63.96 -55.93 18.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 36.3 mt -57.29 -30.31 35.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.185 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.591 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -78.12 -47.3 18.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.914 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.458 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 5.0 mm-40 -65.59 -7.92 17.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 21.4 tt0 -104.1 -53.58 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.463 ' C ' ' H ' ' A' ' 86' ' ' GLN . 65.8 m-85 -101.15 -53.68 2.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.532 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -77.58 24.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.486 ' HG3' ' N ' ' A' ' 87' ' ' THR . 0.0 OUTLIER -105.45 151.81 23.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.486 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 43.9 m -54.77 133.18 47.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 87' ' ' THR . 23.4 pt-20 35.15 34.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -50.83 165.7 0.35 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.582 0.706 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.404 ' HD2' ' CB ' ' A' ' 89' ' ' ALA . 53.8 Cg_endo -69.75 -33.94 15.62 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -121.81 17.58 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -39.84 100.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.2 m -58.66 -178.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -96.36 96.88 9.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.3 pt -143.91 113.15 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -51.44 165.59 0.15 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.791 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -54.6 -35.65 63.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -51.03 -68.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.0 m -61.44 -48.38 81.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.76 -51.6 15.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -56.25 -46.57 79.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.813 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 17.0 mm -44.03 -65.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.2 m -39.99 -51.32 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.4 mtp -49.29 -55.54 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -61.32 -19.2 61.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.97 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -92.99 4.73 53.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.584 HD12 ' CD2' ' A' ' 81' ' ' TYR . 57.3 mt -91.03 -0.69 57.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.408 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 13.9 t -80.22 -58.01 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.527 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 9.9 mt-10 -121.87 48.96 1.8 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.677 0.751 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.3 Cg_endo -69.78 139.65 40.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.386 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.1 t -132.76 -71.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.7 mt -131.35 -44.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.4 m -92.11 24.97 3.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.45 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 2.5 p -59.49 -40.17 86.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -108.62 38.23 2.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -66.3 -56.3 11.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 5.7 tpp -59.75 -60.77 3.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.22 -35.21 25.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -69.43 -51.66 34.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -66.41 -29.25 69.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -60.09 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 8.3 mm -58.73 -40.03 78.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.447 ' CD2' HD21 ' A' ' 29' ' ' LEU . 5.1 t-80 -57.08 -37.28 71.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.23 -20.35 62.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.47 HD23 ' ND2' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -86.0 -43.32 13.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.456 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 47.9 mtm -69.94 -10.33 58.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.486 ' CB ' ' HB2' ' A' ' 29' ' ' LEU . 6.1 pt-20 -98.01 -24.7 15.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.31 -5.17 14.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -113.17 -66.63 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 133' ' ' ARG . 33.0 m -78.04 -55.93 4.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.583 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 4.0 tp -34.66 -54.43 0.97 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.648 0.737 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.3 Cg_endo -69.75 -26.84 27.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.739 2.293 . . . . 0.0 112.307 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 130' ' ' SER . 61.9 mtm180 -88.51 -13.65 39.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.788 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 130' ' ' SER . 15.2 t80 -84.32 -39.1 19.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.456 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 28.2 m -67.84 -23.03 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.093 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -71.69 -41.29 68.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 97.9 p -65.24 175.9 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -74.75 -34.88 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -40.86 -32.69 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.456 ' CB ' ' HA ' ' A' ' 135' ' ' VAL . 59.1 t80 -91.26 -49.59 6.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.96 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -48.88 -30.79 6.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -78.29 -26.27 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 34.3 mt -68.46 -33.75 74.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.413 ' CB ' HD22 ' A' ' 19' ' ' LEU . 24.2 pt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.813 0.34 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.415 HD11 ' C ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -51.41 -62.55 1.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -51.94 -16.61 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 24' ' ' GLN . 10.1 tt0 -85.98 -58.1 2.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.423 ' HB3' ' CG2' ' A' ' 144' ' ' ILE . . . -40.72 -33.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -73.16 -37.37 66.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 21' ' ' GLU . 18.1 mt-30 -56.17 -21.84 25.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 51.8 m0 -71.96 -20.72 61.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -74.45 -38.77 62.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -54.66 -58.49 7.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -135.1 121.6 20.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 tp -44.61 -40.23 5.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.941 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -44.89 -52.96 8.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -48.8 -33.3 10.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.0 tp -72.32 -60.81 2.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.2 mt -52.68 -44.45 66.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -53.33 -45.39 69.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -72.46 127.79 33.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -56.28 -49.97 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.459 ' CE2' ' CD2' ' A' ' 143' ' ' LEU . 2.1 t80 -58.28 -57.91 10.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.12 -42.38 87.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.4 tp -59.6 -63.97 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.26 -50.49 3.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -64.07 -47.33 80.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.808 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -50.51 -41.06 53.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -62.25 -63.02 1.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 t -38.96 -49.05 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.476 ' CE1' ' HG3' ' A' ' 49' ' ' GLU . 15.0 t80 -52.15 -49.71 63.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 50' ' ' PHE . 91.6 mt -59.63 -56.91 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -41.81 -43.86 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -70.24 -43.38 70.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.476 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 5.5 mm-40 -78.68 -4.41 48.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 46' ' ' LEU . 22.9 m-85 66.84 36.99 4.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.7 m -129.68 33.4 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.921 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -74.85 -26.75 59.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.483 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 25.6 pm0 -54.76 -31.43 58.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.483 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 2.7 m-20 -60.98 -53.31 58.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.425 ' CD2' HG13 ' A' ' 59' ' ' ILE . 0.7 OUTLIER -63.7 -47.28 81.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.965 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -42.14 -57.68 2.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -49.08 -34.5 13.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -71.23 -62.83 1.26 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.425 HG13 ' CD2' ' A' ' 55' ' ' LEU . 43.6 mt -46.42 -43.36 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.15 -46.99 86.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.036 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 65.1 m -50.61 -59.64 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -54.62 -35.15 63.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -71.23 -33.91 70.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.514 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.1 t80 -69.11 -26.27 64.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 mmtt -68.85 -29.88 68.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -69.22 -5.12 20.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.955 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.474 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 27.2 mt -80.66 123.3 37.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.192 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.56 3.85 14.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.5 t -84.24 139.07 39.04 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.702 0.763 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -10.39 28.45 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.715 2.276 . . . . 0.0 112.339 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -105.18 -53.52 2.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.474 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -57.93 -41.75 83.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.471 ' HG3' ' CG2' ' A' ' 67' ' ' ILE . 6.8 mtp -54.69 -33.03 60.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.824 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.408 ' O ' ' HB1' ' A' ' 77' ' ' ALA . . . -90.73 -56.21 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.08 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -55.35 -58.38 7.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 19.1 tptm -47.61 -44.27 26.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -50.64 -49.13 57.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -60.23 -35.82 76.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -57.69 -56.66 19.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 35.7 mt -55.7 -30.8 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.609 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -75.96 -44.77 38.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.466 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 13.3 mm-40 -66.72 -8.21 26.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 10.6 tt0 -105.1 -52.85 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.44 ' C ' ' H ' ' A' ' 86' ' ' GLN . 68.4 m-85 -100.84 -53.77 2.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.545 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.2 mm -78.89 25.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -105.9 153.92 21.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.478 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 29.0 m -57.57 134.11 55.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.419 ' N ' HG23 ' A' ' 87' ' ' THR . 12.6 pt-20 37.34 31.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -49.66 162.59 0.44 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.571 0.7 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -30.17 22.4 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.64 2.227 . . . . 0.0 112.384 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -124.95 17.43 8.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -40.6 100.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.8 m -58.84 -175.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -100.06 101.69 12.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -147.67 113.88 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -49.42 161.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -51.4 -37.23 47.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -50.8 -68.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 37.5 m -60.31 -49.65 76.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.175 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.23 -47.73 24.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -61.59 -47.45 85.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.9 mm -43.41 -63.07 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -42.82 -52.66 4.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.144 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.0 mtp -47.33 -55.98 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.827 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -60.35 -22.53 63.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -89.61 6.1 42.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.581 HD13 ' CD2' ' A' ' 81' ' ' TYR . 60.9 mt -92.03 -0.78 57.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.4 t -79.4 -57.9 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.525 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 7.4 mt-10 -123.1 49.68 2.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.71 0.767 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.5 Cg_endo -69.76 134.47 28.05 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.612 2.208 . . . . 0.0 112.358 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.7 t -123.57 -70.65 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.0 mt -134.83 -45.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.402 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 55.9 p -87.91 19.53 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.435 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 1.3 p -56.41 -42.43 77.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.837 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 30.8 m-85 -105.04 36.38 2.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.798 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 113' ' ' SER . 10.6 p-10 -68.46 -49.43 59.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 2.9 tpp -63.61 -66.46 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -46.64 -42.05 15.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.437 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 41.9 tt0 -60.11 -53.7 54.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -25.28 65.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.512 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -67.33 -54.67 18.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 10.4 mm -64.88 -42.12 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -53.91 -37.88 64.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.66 -22.86 62.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.466 HD23 ' ND2' ' A' ' 54' ' ' ASN . 0.7 OUTLIER -83.97 -43.47 15.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.454 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 38.1 mtm -71.05 -11.05 60.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.439 ' O ' ' HD3' ' A' ' 132' ' ' PRO . 6.1 pt-20 -98.41 -23.69 15.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.421 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -110.43 -5.26 15.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' A' ' 132' ' ' PRO . 34.8 t70 -115.85 -65.17 1.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.912 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 133' ' ' ARG . 42.2 m -75.75 -58.86 3.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.594 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.4 tp -35.59 -54.05 1.29 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.7 Cg_endo -69.78 -25.83 28.13 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.718 2.278 . . . . 0.0 112.356 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 130' ' ' SER . 14.4 mtp85 -89.91 -13.38 36.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.4 t80 -86.75 -42.84 13.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.453 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 28.6 m -56.11 -37.7 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -66.16 -44.79 83.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 23.1 p -57.0 136.96 56.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.804 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 139' ' ' PHE . 2.2 mm-40 -41.66 -39.41 1.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 138' ' ' GLU . 97.2 m-85 -37.59 -38.38 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.453 ' CG ' ' HA ' ' A' ' 135' ' ' VAL . 48.7 t80 -86.03 -43.92 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.923 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -51.91 -32.01 30.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -78.0 -25.12 47.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.459 ' CD2' ' CE2' ' A' ' 37' ' ' TYR . 33.8 mt -70.08 -34.94 73.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.423 ' CG2' ' HB3' ' A' ' 22' ' ' ALA . 29.9 pt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.935 0.398 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.427 ' CD1' HD12 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -46.0 -62.6 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -48.18 -19.27 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 24' ' ' GLN . 11.6 tt0 -86.95 -58.82 2.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.445 ' HB1' ' CG2' ' A' ' 144' ' ' ILE . . . -41.52 -31.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.427 HD12 ' CD1' ' A' ' 19' ' ' LEU . 1.1 mt -75.83 -36.04 59.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' GLU . 12.4 mt-30 -54.14 -24.19 16.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 36.3 m0 -72.09 -23.49 61.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 11.4 mtp-105 -74.23 -41.45 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -57.78 -56.24 24.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 t -135.17 137.52 42.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.797 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.4 tp -56.12 -40.17 73.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 31' ' ' LYS . 3.7 m-20 -43.3 -62.68 0.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 30' ' ' ASP . 20.2 mmtt -37.28 -37.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.482 HD21 ' CG ' ' A' ' 42' ' ' PHE . 24.3 tp -73.22 -65.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.3 mt -47.37 -51.92 18.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -54.3 -42.84 70.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -70.0 124.72 24.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -57.33 -47.75 80.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -62.88 -53.89 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.14 -39.5 94.52 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.3 tp -62.73 -61.62 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.07 -51.29 4.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.034 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.9 m -66.49 -45.05 80.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.497 ' CD2' HD12 ' A' ' 55' ' ' LEU . 35.7 t80 -51.52 -41.53 61.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -60.8 -64.07 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.5 t -40.56 -41.89 1.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.826 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.422 ' CZ ' ' HG3' ' A' ' 49' ' ' GLU . 18.4 t80 -57.62 -46.69 83.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 50' ' ' PHE . 63.4 mt -57.95 -50.29 73.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -43.72 -47.61 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -65.29 -41.29 94.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.422 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 8.3 mm-40 -80.92 -5.63 57.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 46' ' ' LEU . 15.1 m-85 62.53 36.83 13.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.5 m -129.83 34.84 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -75.94 -20.83 57.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.483 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 11.1 pm0 -60.13 -31.41 70.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.483 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 3.2 m-20 -60.84 -49.33 77.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.86 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.497 HD12 ' CD2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -66.48 -43.8 84.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -44.73 -58.09 3.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -48.79 -31.62 7.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 37.7 t90 -74.62 -62.84 1.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.401 HG13 ' CD2' ' A' ' 55' ' ' LEU . 54.5 mt -46.13 -42.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.88 -49.02 76.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.4 m -47.37 -54.61 10.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -56.62 -44.13 80.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.19 -15.41 59.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.549 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -90.84 -30.51 16.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -65.88 -32.12 73.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -82.21 17.48 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.487 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 24.1 mt -94.03 118.29 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.21 -34.31 11.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -47.46 133.6 10.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -27.44 26.57 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.658 2.239 . . . . 0.0 112.399 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.09 -42.83 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.487 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 3.5 tptt -62.69 -51.61 66.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.4 mtp -44.56 -35.1 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.41 -62.28 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.42 -59.76 3.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -45.39 -46.27 13.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.4 -49.92 23.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.478 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 6.9 pttt -61.08 -39.7 90.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.478 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 21.8 mt-30 -53.27 -50.18 65.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.5 mt -61.29 -29.59 46.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.597 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -77.54 -46.1 23.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.472 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.1 mt-10 -66.02 -8.43 23.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 16.7 tt0 -104.38 -52.58 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.439 ' C ' ' H ' ' A' ' 86' ' ' GLN . 62.7 m-85 -101.74 -53.79 2.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.545 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.3 mm -78.99 26.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.485 ' HG2' ' CB ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -104.81 148.13 26.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.973 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.413 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 21.0 m -55.13 123.94 15.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 48.08 33.73 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -53.39 163.25 1.01 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.523 0.678 . . . . 0.0 111.093 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.66 -33.22 17.41 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.652 2.235 . . . . 0.0 112.411 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -121.89 17.82 10.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -40.91 105.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.3 m -61.65 -176.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -98.7 98.54 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.4 pt -145.98 112.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -50.44 157.92 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -48.32 -34.41 10.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -51.72 -70.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 63.7 m -60.17 -50.09 75.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.149 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.53 -45.24 13.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.901 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.16 -45.57 92.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 40.9 mm -44.54 -63.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.522 HG23 ' CE1' ' A' ' 115' ' ' PHE . 88.6 m -42.05 -55.15 3.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.5 mtp -42.82 -54.38 4.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -61.45 -24.21 66.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.847 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 103' ' ' THR . 92.5 m-20 -87.64 7.97 27.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.574 HD11 ' CD2' ' A' ' 81' ' ' TYR . 34.6 mt -93.68 -3.93 51.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.5 t -76.8 -58.07 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 10.0 mt-10 -123.33 51.23 3.67 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.561 0.696 . . . . 0.0 110.841 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.6 Cg_endo -69.79 134.74 28.66 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.729 2.286 . . . . 0.0 112.323 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.1 m -132.02 -66.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.4 mt -135.03 -45.35 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 t -89.79 22.25 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.1 p -60.02 -38.4 82.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.522 ' CE1' HG23 ' A' ' 103' ' ' THR . 96.0 m-85 -114.24 47.05 1.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.98 -51.19 11.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.868 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 5.0 tpp -64.86 -58.93 4.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.76 -42.59 46.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -60.62 -57.85 10.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -27.43 68.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.453 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -66.68 -53.32 35.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 8.2 mm -67.97 -45.2 84.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -53.31 -37.6 62.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.53 -20.53 62.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.471 HD21 ' ND2' ' A' ' 54' ' ' ASN . 0.4 OUTLIER -86.63 -43.95 12.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.448 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 41.6 mtm -68.85 -10.34 56.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.434 ' HA ' ' CB ' ' A' ' 131' ' ' LEU . 5.6 pt-20 -97.35 -23.99 15.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.815 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.44 -6.06 14.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -111.7 -66.46 1.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 133' ' ' ARG . 14.4 p -78.38 -57.41 3.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.592 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.2 tp -34.2 -53.86 0.89 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.585 0.707 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.6 Cg_endo -69.77 -29.15 24.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.333 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 130' ' ' SER . 22.9 mmt180 -85.66 -13.75 47.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 130' ' ' SER . 14.0 t80 -85.22 -50.22 7.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 136' ' ' ARG . 23.6 m -49.92 -26.54 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.058 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.461 ' N ' HG21 ' A' ' 135' ' ' VAL . 7.8 mtp85 -74.99 -42.53 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 138' ' ' GLU . 13.8 p -60.31 133.12 55.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 139' ' ' PHE . 0.1 OUTLIER -36.01 -41.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.457 ' C ' ' O ' ' A' ' 138' ' ' GLU . 89.5 m-85 -33.74 -43.25 0.13 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.821 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.424 ' CE1' HG23 ' A' ' 144' ' ' ILE . 47.1 t80 -80.51 -44.72 18.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 138' ' ' GLU . 93.2 mm-40 -49.09 -35.12 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -77.61 -25.49 49.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 41.6 mt -70.4 -33.91 71.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.445 ' CG2' ' HB1' ' A' ' 22' ' ' ALA . 31.7 pt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.944 0.402 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.411 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -58.34 -53.38 58.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -57.76 -12.02 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 24' ' ' GLN . 9.3 tt0 -88.63 -61.07 1.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.541 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -37.7 -35.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.089 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 mt -69.38 -41.24 76.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.51 ' N ' ' O ' ' A' ' 21' ' ' GLU . 32.7 mt-30 -54.5 -22.92 14.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.567 ' CD1' ' HA ' ' A' ' 32' ' ' LEU . 44.8 m0 -70.8 -23.03 62.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -76.65 -39.82 51.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -53.02 -58.58 6.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -134.99 132.86 38.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.494 HD23 ' CE1' ' A' ' 123' ' ' HIS . 8.3 tp -49.42 -45.17 45.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' LYS . 16.3 m-20 -42.63 -62.44 0.99 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -36.52 -47.97 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.884 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.567 ' HA ' ' CD1' ' A' ' 25' ' ' TRP . 26.6 tp -60.13 -61.43 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.956 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 52.3 mt -49.38 -50.36 40.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.007 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -48.82 -44.65 39.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -75.19 127.98 34.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -60.33 -51.25 70.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.815 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.19 -52.57 62.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.08 -40.6 99.14 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.448 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.0 tp -64.12 -62.67 1.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.42 -56.07 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.5 m -62.63 -42.55 99.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.582 ' CD2' HD11 ' A' ' 55' ' ' LEU . 22.9 t80 -53.57 -44.38 69.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -57.43 -64.88 0.74 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 t -37.79 -49.18 1.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.534 ' CD2' ' HB2' ' A' ' 134' ' ' PHE . 42.4 t80 -48.32 -44.85 34.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.811 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.76 -51.85 63.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -41.11 -45.72 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 m -64.77 -41.28 95.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -79.83 -10.69 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 68.97 32.86 3.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 m -126.84 30.92 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -72.26 -25.98 61.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 91' ' ' LYS . 3.7 pt-20 -54.57 -33.97 61.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.483 ' ND2' HD22 ' A' ' 125' ' ' LEU . 3.0 m-20 -58.87 -46.57 87.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.582 HD11 ' CD2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -72.69 -46.12 55.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -40.68 -59.89 1.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -44.66 -39.08 4.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -67.05 -64.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 39.2 mt -42.32 -42.63 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.74 -45.89 87.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.047 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 54.9 m -47.29 -57.79 4.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -55.82 -41.49 74.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -65.44 -20.8 66.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.809 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.526 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.2 t80 -86.89 -30.8 21.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -63.89 -31.88 73.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' A' ' 66' ' ' LYS . 0.9 OUTLIER -83.63 23.62 0.94 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.839 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.511 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 20.6 mt -101.18 113.19 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -93.51 -34.21 13.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.833 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 m -46.36 130.77 7.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.731 0.777 . . . . 0.0 110.811 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -20.86 33.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.274 . . . . 0.0 112.305 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -92.56 -41.02 10.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.511 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -67.0 -49.66 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.9 mtp -45.39 -37.48 5.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.67 -57.18 2.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 11.1 mm-40 -53.04 -57.54 10.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 18.3 tptm -48.94 -48.86 42.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.4 -46.05 9.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 3.6 pttp -63.96 -40.19 95.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.48 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 19.1 mt-30 -52.75 -51.98 58.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.3 mt -60.24 -30.11 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.61 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -76.27 -45.09 34.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.462 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 6.6 mt-10 -67.44 -8.7 35.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 20.4 tt0 -105.05 -49.73 3.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.458 ' C ' ' H ' ' A' ' 86' ' ' GLN . 78.3 m-85 -103.57 -54.85 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.553 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -77.95 27.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.462 ' HB2' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -107.46 146.98 31.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 89' ' ' ALA . 67.4 m -50.97 134.2 26.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 37.1 32.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 87' ' ' THR . . . -49.88 162.33 0.48 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.593 0.711 . . . . 0.0 111.094 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -31.67 19.82 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.285 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 53' ' ' GLU . 8.8 mtpp -123.63 20.6 9.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -42.18 103.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.0 m -62.98 165.44 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -80.65 96.9 7.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.4 pt -146.1 112.25 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -48.89 167.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -56.74 -34.64 67.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -52.14 -68.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.7 m -60.7 -47.5 86.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.22 -53.15 18.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -54.81 -49.15 71.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.1 mm -41.14 -67.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.201 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.472 HG23 ' CD2' ' A' ' 115' ' ' PHE . 97.8 m -39.44 -52.9 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.6 mtp -48.28 -57.3 6.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -59.2 -20.95 58.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -90.53 5.0 49.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.563 HD11 ' CD2' ' A' ' 81' ' ' TYR . 37.4 mt -89.29 -2.94 58.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.405 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 14.9 t -79.47 -57.8 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.105 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.522 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 11.0 mt-10 -121.73 49.71 2.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.728 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.78 124.16 10.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.624 2.216 . . . . 0.0 112.398 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.4 m -118.24 -70.63 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.7 mt -134.09 -44.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.8 m -87.16 20.2 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.7 m -49.06 -55.83 10.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.828 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.472 ' CD2' HG23 ' A' ' 103' ' ' THR . 40.0 m-85 -99.87 39.11 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -64.32 -34.94 79.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 4.2 tpp -83.35 -67.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -43.99 -33.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 37.4 tt0 -66.8 -53.16 35.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -67.41 -29.01 68.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.98 -54.8 24.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 11.2 mm -65.34 -46.02 91.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.494 ' CE1' HD23 ' A' ' 29' ' ' LEU . 7.1 t-80 -55.59 -35.59 65.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.3 -23.87 61.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.483 HD22 ' ND2' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -85.47 -43.08 13.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.486 ' CG ' ' HA ' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -69.89 -11.71 61.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.473 ' HA ' ' CB ' ' A' ' 131' ' ' LEU . 5.4 pt-20 -96.34 -22.55 17.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.79 -6.85 14.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -109.39 -66.89 1.02 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.893 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 133' ' ' ARG . 22.8 p -80.04 -55.9 4.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.581 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 4.1 tp -32.83 -54.25 0.6 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.624 0.726 . . . . 0.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.2 Cg_endo -69.86 -31.54 19.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.64 2.227 . . . . 0.0 112.345 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 130' ' ' SER . 15.5 mtt180 -84.25 -12.69 54.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.534 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 17.8 t80 -85.46 -35.95 20.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.438 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 33.8 m -70.25 -34.44 58.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.179 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -60.85 -44.9 96.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 87.2 p -61.9 166.42 4.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 139' ' ' PHE . 2.7 tt0 -64.65 -38.37 90.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 138' ' ' GLU . 92.4 m-85 -34.35 -39.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.438 ' CB ' ' HA ' ' A' ' 135' ' ' VAL . 66.2 t80 -88.11 -43.95 11.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -50.26 -32.2 16.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.19 -25.93 52.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 34.3 mt -69.63 -37.24 76.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 35.1 pt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.816 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.918 0.389 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.43 HD11 ' C ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -56.81 -57.82 10.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.403 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -56.64 -12.26 1.74 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 24' ' ' GLN . 12.4 tt0 -89.81 -59.23 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB3' ' CG2' ' A' ' 144' ' ' ILE . . . -40.92 -32.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.403 ' CD1' ' HA ' ' A' ' 20' ' ' ASP . 1.2 mt -71.99 -38.6 69.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' GLU . 62.2 mt-30 -54.47 -23.66 17.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.509 ' CD2' HD11 ' A' ' 32' ' ' LEU . 50.5 m0 -71.09 -23.38 62.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -71.92 -38.84 69.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -56.32 -59.85 4.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -135.15 126.41 28.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.817 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 tp -48.21 -39.38 20.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -44.97 -53.28 7.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -47.98 -37.53 14.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.509 HD11 ' CD2' ' A' ' 25' ' ' TRP . 38.3 tp -67.64 -64.46 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.436 HD21 ' CD1' ' A' ' 39' ' ' LEU . 58.4 mt -48.96 -44.83 41.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -53.8 -45.05 70.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -72.85 127.24 31.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -56.32 -53.26 59.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -55.39 -56.19 23.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.77 -41.77 94.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.52 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.436 ' CD1' HD21 ' A' ' 33' ' ' LEU . 32.1 tp -62.95 -61.3 2.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.845 0.355 . . . . 0.0 110.917 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.78 -48.76 10.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.073 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.2 m -68.98 -43.22 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.516 ' CD2' HD13 ' A' ' 55' ' ' LEU . 46.8 t80 -53.84 -42.92 69.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 46' ' ' LEU . 36.7 mtpt -58.1 -63.58 1.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 t -40.47 -45.32 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.435 ' CD2' ' HB2' ' A' ' 134' ' ' PHE . 26.2 t80 -52.07 -40.8 61.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 52' ' ' GLU . 9.0 mp -71.97 -53.44 13.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.421 ' HG3' ' CD ' ' A' ' 52' ' ' GLU . 39.8 mtpt -41.26 -41.97 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.3 p -69.77 -36.46 75.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.83 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' OE2' ' NH1' ' A' ' 133' ' ' ARG . 5.6 mm-40 -85.18 -9.98 57.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 69.09 32.11 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.4 m -126.42 30.94 5.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.785 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.436 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 13.1 tt0 -73.76 -22.48 59.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.478 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 5.6 pm0 -52.5 -33.57 45.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.485 ' ND2' HD22 ' A' ' 125' ' ' LEU . 5.2 m-20 -60.37 -44.13 95.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.516 HD13 ' CD2' ' A' ' 42' ' ' PHE . 1.2 tt -72.36 -46.25 56.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -42.38 -57.57 2.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 85' ' ' ILE . 29.9 t80 -49.01 -37.24 19.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 43.2 t90 -67.21 -60.07 2.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.3 mt -48.77 -45.13 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.55 88.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 65.7 m -46.98 -56.48 6.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -58.07 -36.84 73.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -69.79 -16.05 63.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.483 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 2.3 t80 -91.79 -30.74 16.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -63.85 -31.02 72.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -82.84 18.2 1.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.464 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 28.2 mt -97.9 103.79 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.135 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' SD ' ' A' ' 73' ' ' MET . 0.0 OUTLIER -84.79 -39.34 18.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -41.48 136.55 1.85 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.678 0.751 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -29.54 23.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.621 2.214 . . . . 0.0 112.37 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.67 -59.55 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.464 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -46.86 -46.13 20.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 68' ' ' LYS . 11.5 mtp -50.18 -38.11 38.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.35 -57.39 2.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -53.27 -56.84 13.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -48.05 -47.87 33.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.98 -46.23 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 2.3 pttp -67.25 -38.33 84.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.963 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.463 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 26.1 mt-30 -54.55 -50.41 68.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.5 mt -64.39 -29.38 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.608 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -75.14 -45.77 38.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.506 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 14.6 mt-10 -65.07 -8.28 15.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 12.8 tt0 -106.16 -52.48 2.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.431 ' C ' ' H ' ' A' ' 86' ' ' GLN . 69.7 m-85 -101.88 -54.75 2.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.57 HD11 ' CZ ' ' A' ' 57' ' ' PHE . 1.2 mm -78.97 29.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.506 ' HB2' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -105.76 148.6 27.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.981 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.427 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 23.2 m -58.26 120.93 9.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 53.15 27.68 6.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.457 ' CB ' ' HG2' ' A' ' 86' ' ' GLN . . . -49.88 164.46 0.36 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -33.97 15.41 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.339 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -121.89 16.78 10.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -42.58 103.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.4 m -57.8 176.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -91.75 98.02 11.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.0 pt -142.18 111.59 2.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -47.59 161.39 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -50.71 -38.45 47.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -48.63 -68.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.9 m -61.95 -53.29 57.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.413 ' HE2' ' CG2' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -43.79 -46.16 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.66 -45.19 93.98 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.5 mm -44.91 -64.37 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.8 m -40.11 -52.84 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.6 mtp -46.97 -56.65 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -60.71 -16.31 38.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -95.29 -0.25 53.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.535 HD12 ' CD2' ' A' ' 81' ' ' TYR . 87.6 mt -89.25 1.47 55.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.2 p -88.22 -42.92 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 6.1 mm-40 -132.76 45.0 1.47 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.673 0.749 . . . . 0.0 110.841 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.8 Cg_endo -69.69 137.55 35.92 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.409 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 m -133.72 -68.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.949 0.405 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.7 mt -133.67 -43.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.4 m -89.11 22.62 2.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.2 m -50.13 -56.64 10.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -98.08 34.65 1.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -61.39 -34.48 75.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 3.9 tpp -86.09 -59.69 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.86 -36.44 17.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -66.64 -53.94 28.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -64.77 -30.34 71.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.447 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -64.99 -59.06 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.803 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 8.0 mm -60.43 -40.62 84.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -57.12 -38.31 73.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.85 -20.47 63.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.485 HD22 ' ND2' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -85.52 -45.89 11.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.429 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 46.0 mtm -67.83 -10.97 57.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.447 ' HA ' ' CB ' ' A' ' 131' ' ' LEU . 8.7 pt-20 -97.91 -25.75 14.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.41 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -112.29 -1.32 15.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 125' ' ' LEU . 37.3 t0 -116.43 -65.92 1.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 134' ' ' PHE . 5.1 p -79.99 -52.45 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.631 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.8 tp -39.72 -51.92 5.09 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.606 0.717 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.5 Cg_endo -69.71 -22.33 32.44 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.635 2.223 . . . . 0.0 112.424 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.452 ' NH1' ' OE2' ' A' ' 49' ' ' GLU . 6.9 mtp-105 -96.07 -13.27 23.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 130' ' ' SER . 25.5 t80 -85.98 -38.15 18.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.409 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 28.8 m -62.51 -38.51 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 23.7 mtm105 -65.1 -40.82 95.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 49.7 p -62.27 136.35 57.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.511 ' OE1' ' N ' ' A' ' 138' ' ' GLU . 0.2 OUTLIER -38.72 -41.0 0.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 138' ' ' GLU . 96.2 m-85 -34.57 -40.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.409 ' CB ' ' HA ' ' A' ' 135' ' ' VAL . 44.6 t80 -87.7 -45.61 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -48.43 -34.06 10.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -76.85 -27.0 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 31.5 mt -68.19 -35.0 77.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.409 ' CG2' ' HB3' ' A' ' 22' ' ' ALA . 26.6 pt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.048 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -60.39 -56.83 16.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.66 -15.29 1.72 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' GLN . 8.5 tt0 -87.75 -56.78 3.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.566 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -42.06 -31.48 0.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -75.5 -37.65 60.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' GLU . 27.3 mt-30 -55.2 -18.29 5.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.973 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.566 ' CE3' ' HA ' ' A' ' 22' ' ' ALA . 34.8 m0 -71.27 -23.27 61.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -71.5 -49.41 41.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -47.91 -57.4 5.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m -134.89 133.48 39.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.402 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 6.4 tp -52.59 -46.83 67.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 31' ' ' LYS . 7.9 t70 -37.19 -64.49 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' C ' ' HG2' ' A' ' 34' ' ' GLN . 14.8 mmtm -35.54 -38.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.494 ' HA ' ' CD1' ' A' ' 25' ' ' TRP . 28.4 tp -69.48 -61.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.977 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.413 HD22 ' CD1' ' A' ' 39' ' ' LEU . 24.4 mt -51.96 -53.27 43.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.473 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 12.5 pt20 -46.38 -38.22 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.473 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 6.2 m120 -85.66 121.89 28.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.68 -51.22 61.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -50.88 -60.67 2.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.72 -42.86 91.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.486 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.413 ' CD1' HD22 ' A' ' 33' ' ' LEU . 39.0 tp -59.71 -63.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.845 0.355 . . . . 0.0 110.934 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.7 -51.96 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.2 m -67.16 -42.91 83.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.809 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.441 ' CD2' HD12 ' A' ' 55' ' ' LEU . 23.0 t80 -53.62 -39.78 65.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -63.97 -63.44 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 t -39.63 -42.96 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -54.97 -56.21 22.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.426 ' HB3' ' C ' ' A' ' 51' ' ' SER . 82.1 mt -53.93 -48.09 70.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -50.04 -48.06 53.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m -67.67 -12.26 60.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -112.37 0.46 15.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 61.93 34.42 16.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.426 ' C ' ' HB3' ' A' ' 46' ' ' LEU . 19.2 m -131.28 34.37 4.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.782 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -80.43 -10.08 59.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.481 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 11.3 pm0 -66.99 -36.09 81.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.482 ' ND2' HD21 ' A' ' 125' ' ' LEU . 8.6 m-20 -56.33 -47.73 78.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.45 HD23 ' CD1' ' A' ' 59' ' ' ILE . 1.2 tt -67.86 -42.14 81.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -48.51 -52.15 23.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.556 ' CZ ' HD11 ' A' ' 85' ' ' ILE . 17.9 t80 -54.29 -33.42 58.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.412 ' CZ2' HD13 ' A' ' 33' ' ' LEU . 69.2 t90 -72.62 -58.61 3.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.45 ' CD1' HD23 ' A' ' 55' ' ' LEU . 40.2 mt -48.81 -46.06 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.8 88.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.06 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 88.5 m -48.14 -62.86 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -48.81 -41.87 34.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -65.08 -23.83 67.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.567 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -85.5 -27.0 25.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.832 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -69.88 -29.14 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -83.01 10.5 7.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.476 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 20.1 mt -90.86 127.6 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -108.29 -31.88 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.775 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 m -48.65 133.9 13.78 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -20.56 34.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.03 -41.34 10.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.476 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 5.3 tptt -67.66 -49.96 60.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.463 ' HG3' ' CG2' ' A' ' 67' ' ' ILE . 9.4 mtp -47.82 -33.34 7.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.71 -60.48 1.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -52.41 -59.2 4.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.811 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.4 tptt -46.14 -39.83 10.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.23 -51.17 65.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -30.49 71.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -62.75 -49.07 76.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.0 mt -64.48 -29.41 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.611 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -78.13 -44.0 27.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.464 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 13.5 mm-40 -66.63 -8.24 25.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 12.5 tt0 -106.66 -52.64 2.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.42 ' C ' ' H ' ' A' ' 86' ' ' GLN . 68.2 m-85 -100.01 -54.0 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.556 HD11 ' CZ ' ' A' ' 57' ' ' PHE . 1.2 mm -80.16 27.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -106.25 149.14 27.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.445 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 29.4 m -55.73 129.37 39.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 42.08 35.94 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -55.38 163.89 1.63 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 111.053 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -34.23 15.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.766 2.311 . . . . 0.0 112.319 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -121.28 22.41 10.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -39.76 129.12 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.407 ' CG2' HD13 ' A' ' 95' ' ' ILE . 34.9 m -88.98 175.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -92.5 98.1 11.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.407 HD13 ' CG2' ' A' ' 93' ' ' VAL . 0.9 OUTLIER -142.17 111.96 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.16 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 97' ' ' HIS . 35.8 t70 -51.62 146.23 7.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 96' ' ' ASP . 38.8 m80 -34.12 -41.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.797 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -47.21 -65.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.6 m -64.54 -56.61 12.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.59 -28.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -82.1 -41.77 20.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.8 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.5 mm -50.46 -55.65 5.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.6 m -48.13 -47.25 34.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.6 mtp -51.03 -55.02 19.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp -63.47 -21.21 66.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -90.1 4.98 48.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' A' ' 81' ' ' TYR . 18.9 mt -91.01 -3.34 57.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.467 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 13.3 t -78.93 -60.98 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.512 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 5.2 mm-40 -117.93 49.96 1.04 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.6 Cg_endo -69.75 131.24 20.83 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.407 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.6 t -129.44 -68.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.2 mt -133.05 -44.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.1 m -90.84 22.81 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.2 p -61.3 -38.6 87.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -111.37 40.29 2.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -73.1 -46.25 52.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 4.2 tpp -68.86 -62.35 1.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.16 -44.95 32.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -58.52 -58.52 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -29.0 69.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.427 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -67.01 -52.01 47.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.3 mm -70.57 -40.95 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -56.41 -35.36 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.5 -20.06 60.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.6 OUTLIER -83.58 -44.87 14.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.977 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.432 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 27.8 mtm -72.46 -10.03 59.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 131' ' ' LEU . 6.0 pt-20 -97.38 -27.06 14.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.46 -3.4 15.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 33.2 t0 -114.07 -66.25 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 133' ' ' ARG . 15.2 m -78.43 -55.58 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.583 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 4.1 tp -35.33 -53.93 1.2 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.572 0.701 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 54.0 Cg_endo -69.75 -26.92 27.14 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 130' ' ' SER . 80.7 mtm180 -89.4 -12.76 39.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 130' ' ' SER . 12.9 t80 -87.37 -35.99 18.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.526 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 17.7 m -62.5 -40.29 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.1 mtm105 -64.17 -28.0 69.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.1 p -73.65 138.23 44.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 140' ' ' TYR . 1.2 mt-10 -39.32 -51.58 2.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.491 ' C ' ' O ' ' A' ' 138' ' ' GLU . 55.9 m-85 -30.18 -39.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.526 ' CG ' ' HA ' ' A' ' 135' ' ' VAL . 63.2 t80 -87.27 -53.2 4.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.446 ' C ' HD12 ' A' ' 144' ' ' ILE . 66.4 mm-40 -43.81 -32.64 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 6.4 pt-20 -75.98 -31.66 59.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 140' ' ' TYR . 73.8 mt -56.39 -31.53 63.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.446 HD12 ' C ' ' A' ' 141' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.419 HD22 ' CB ' ' A' ' 144' ' ' ILE . 0.9 OUTLIER -50.84 -58.83 4.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.24 -18.19 3.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 24' ' ' GLN . 8.9 tt0 -84.08 -58.61 2.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -41.19 -31.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -74.94 -38.15 61.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 21' ' ' GLU . 11.2 mt-30 -56.29 -15.63 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.415 ' CE3' ' HA ' ' A' ' 22' ' ' ALA . 44.8 m0 -74.52 -22.64 58.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 13.6 mtp-105 -72.07 -34.63 68.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -61.26 -56.01 25.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.2 m -135.04 128.74 32.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tp -51.75 -39.27 58.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -45.87 -55.69 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.448 ' C ' ' HG2' ' A' ' 34' ' ' GLN . 14.6 mttm -45.89 -33.41 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.8 tp -71.97 -58.25 3.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.444 HD21 ' CD1' ' A' ' 39' ' ' LEU . 22.5 mt -53.81 -53.12 56.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.476 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 13.4 pt20 -45.18 -40.0 6.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.964 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.476 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 3.2 t-20 -80.98 116.33 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -48.36 -47.95 36.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.429 ' CE2' ' CD2' ' A' ' 143' ' ' LEU . 2.2 t80 -55.68 -60.96 2.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.93 -42.46 80.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.429 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.444 ' CD1' HD21 ' A' ' 33' ' ' LEU . 35.5 tp -59.13 -63.45 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.981 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -40.93 -53.78 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 m -65.78 -37.97 87.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -58.75 -36.98 75.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.832 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -66.04 -65.54 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.0 t -41.94 -41.04 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.49 ' CZ ' ' O ' ' A' ' 133' ' ' ARG . 33.7 t80 -55.72 -40.09 71.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 49' ' ' GLU . 5.6 mp -74.17 -49.77 22.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -41.39 -38.73 1.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -69.31 -34.76 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.772 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.548 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 4.0 mm-40 -94.93 14.0 23.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 2.7 p90 47.23 31.35 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.6 m -119.59 27.6 8.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -74.88 -26.75 59.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -49.47 -37.16 25.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.461 ' ND2' HD21 ' A' ' 125' ' ' LEU . 10.0 m-20 -55.12 -46.69 75.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 58' ' ' TRP . 0.5 OUTLIER -67.71 -49.54 62.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -41.14 -49.74 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.403 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 23.5 t80 -54.5 -34.78 62.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.427 ' N ' ' O ' ' A' ' 55' ' ' LEU . 52.1 t90 -72.37 -63.68 1.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 36.0 mt -44.71 -42.39 2.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.25 -52.72 60.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 57' ' ' PHE . 75.2 m -40.55 -56.87 1.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.94 -39.02 68.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -67.53 -19.91 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.461 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 t80 -86.79 -28.32 23.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -69.28 -33.38 73.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -75.31 3.4 9.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.477 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 10.0 mt -89.67 113.81 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -96.45 -29.85 13.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.447 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 1.3 t -46.74 138.52 6.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.567 0.698 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -32.93 17.7 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.67 2.246 . . . . 0.0 112.383 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.36 -54.73 4.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.477 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -51.91 -53.69 38.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.0 mtp -45.05 -32.26 1.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.76 -63.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.16 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -50.83 -56.43 12.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.804 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.404 ' HG2' ' CD1' ' A' ' 67' ' ' ILE . 20.0 tptm -49.35 -42.69 42.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.95 -40.76 63.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.073 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 12.3 pttt -68.63 -37.08 79.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.484 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 29.1 mt-30 -55.09 -56.24 22.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 34.8 mt -58.05 -22.72 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.614 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -83.85 -42.74 16.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.444 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 15.2 mt-10 -69.95 -9.75 56.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.957 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 12.1 tt0 -103.95 -46.72 4.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.472 ' C ' ' H ' ' A' ' 86' ' ' GLN . 79.9 m-85 -106.18 -55.65 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.552 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.4 mm -76.98 26.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.177 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -106.3 142.37 36.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.9 m -50.03 129.64 20.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 47.37 30.54 1.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.812 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 83' ' ' GLU . . . -51.32 158.67 1.3 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.52 0.676 . . . . 0.0 111.105 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -29.68 23.51 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.613 2.209 . . . . 0.0 112.354 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -122.58 16.87 10.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -39.6 103.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 26.4 m -61.71 179.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.156 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -93.91 97.61 10.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.6 pt -146.58 113.09 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -50.87 156.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -45.99 -37.04 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -50.73 -69.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.3 m -60.17 -48.96 79.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.04 -50.62 19.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -56.21 -46.37 79.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.4 mm -43.35 -64.03 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 93.2 m -42.83 -49.35 5.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mtp -50.36 -55.12 17.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -62.86 -19.91 64.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -92.35 4.89 52.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.463 ' CD1' ' CD2' ' A' ' 81' ' ' TYR . 25.2 mt -90.06 -3.16 58.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.404 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 17.2 t -76.92 -60.85 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.507 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 1.4 pt-20 -120.95 50.8 2.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.73 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.4 Cg_endo -69.61 134.23 27.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.5 m -128.19 -70.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.5 mt -131.69 -44.33 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.959 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.8 p -85.69 20.73 2.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.7 m -48.29 -61.0 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -97.57 34.07 1.91 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -58.68 -35.44 72.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 8.0 tpp -84.65 -55.1 4.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.66 -41.24 66.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.08 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -61.21 -54.1 48.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -65.93 -30.56 71.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.494 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -64.42 -52.11 59.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.3 mm -67.77 -42.89 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -56.41 -39.78 73.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.58 -19.79 65.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.042 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.461 HD21 ' ND2' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -85.91 -54.42 4.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.876 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 32.5 mtm -60.67 -9.93 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.45 ' HA ' ' CB ' ' A' ' 131' ' ' LEU . 4.8 pt-20 -99.36 -22.62 15.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -110.27 -7.21 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 133' ' ' ARG . 5.7 m-20 -118.85 -66.01 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 134' ' ' PHE . 48.9 m -71.27 -50.34 33.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.555 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 3.5 tp -45.4 -55.42 11.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.584 0.706 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.0 Cg_endo -69.8 -23.14 30.96 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.49 ' O ' ' CZ ' ' A' ' 45' ' ' PHE . 14.7 mmp_? -91.91 -13.8 30.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 130' ' ' SER . 9.1 t80 -85.35 -37.88 19.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.427 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 34.4 m -65.19 -16.18 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -79.31 -39.37 33.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 138' ' ' GLU . 23.4 p -69.51 133.5 47.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.788 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 139' ' ' PHE . 1.1 pm0 -34.96 -41.97 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.47 ' C ' ' O ' ' A' ' 138' ' ' GLU . 84.3 m-85 -32.35 -43.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.494 ' O ' ' N ' ' A' ' 143' ' ' LEU . 60.0 t80 -84.12 -53.18 5.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.955 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.441 ' C ' HD12 ' A' ' 144' ' ' ILE . 82.2 mm-40 -41.38 -34.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 139' ' ' PHE . 9.3 pt-20 -74.58 -34.88 62.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 140' ' ' TYR . 75.3 mt -53.11 -35.08 59.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.441 HD12 ' C ' ' A' ' 141' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.086 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.904 0.383 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.439 ' CD1' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -45.53 -62.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -47.65 -19.62 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 24' ' ' GLN . 3.3 tp10 -88.99 -56.59 3.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.433 ' HB1' ' CG2' ' A' ' 144' ' ' ILE . . . -42.31 -31.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.439 HD11 ' CD1' ' A' ' 19' ' ' LEU . 1.5 mt -76.15 -36.05 58.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 21' ' ' GLU . 16.6 mt-30 -54.56 -22.0 11.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -71.06 -23.44 62.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.0 mtp-105 -70.08 -43.87 70.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -56.49 -62.0 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 t -129.09 126.96 40.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 4.9 tp -50.32 -37.11 35.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -45.15 -55.96 5.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -44.84 -27.14 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.508 HD21 ' CG ' ' A' ' 42' ' ' PHE . 17.0 tp -79.9 -48.71 13.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.7 mt -63.93 -41.24 97.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -63.93 -36.58 84.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.472 ' O ' ' C ' ' A' ' 36' ' ' ASN . 3.3 t-20 -78.37 97.8 5.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.472 ' C ' ' O ' ' A' ' 35' ' ' ASN . 0.8 OUTLIER -32.62 -54.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.38 -51.74 63.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.57 -49.08 82.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.8 tp -55.08 -61.23 2.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.21 -59.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.095 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -59.25 -44.4 92.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.508 ' CG ' HD21 ' A' ' 32' ' ' LEU . 22.8 t80 -51.44 -43.47 62.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -59.38 -62.94 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 t -41.26 -46.72 3.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -51.17 -41.15 59.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.792 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 49' ' ' GLU . 89.3 mt -67.53 -54.62 18.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.406 ' HG3' ' CD ' ' A' ' 52' ' ' GLU . 15.1 mtpp -39.87 -34.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.0 t -79.11 -36.39 40.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.543 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 5.1 mm-40 -91.21 17.54 8.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 27.9 p90 45.65 31.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.7 m -120.5 27.77 8.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' CD ' ' HG3' ' A' ' 47' ' ' LYS . 7.0 tt0 -71.84 -24.09 61.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 91' ' ' LYS . 4.3 pt-20 -60.93 -31.15 70.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.489 ' ND2' HD23 ' A' ' 125' ' ' LEU . 3.2 m-20 -59.1 -52.44 65.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.475 HD12 ' CD2' ' A' ' 42' ' ' PHE . 1.3 tt -66.08 -43.9 86.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -45.54 -55.77 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -50.22 -34.97 24.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 59.9 t90 -69.3 -61.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.468 ' CD1' HD21 ' A' ' 55' ' ' LEU . 22.7 mt -46.46 -45.01 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.33 -51.05 69.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 44.4 m -43.92 -52.84 6.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.85 -44.23 97.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.05 -20.2 65.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.556 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -85.25 -34.73 21.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -63.78 -32.13 73.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -83.58 19.89 1.51 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.481 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 42.3 mt -93.95 114.65 31.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.21 -21.6 19.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 m -60.63 133.37 91.55 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.682 0.753 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -34.57 14.45 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -82.54 -36.95 25.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.481 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -67.96 -48.24 66.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.2 mtp -47.5 -37.66 12.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.87 -58.25 2.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 4.8 mm-40 -51.09 -59.52 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -47.98 -43.85 29.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.16 -51.8 23.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.048 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 8.1 ptmt -60.04 -39.73 86.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.47 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 20.9 mt-30 -52.89 -57.6 9.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.9 mt -55.05 -26.9 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.604 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -79.2 -45.71 19.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.473 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.6 mt-10 -66.15 -8.66 25.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 14.3 tt0 -105.45 -52.15 2.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.424 ' C ' ' H ' ' A' ' 86' ' ' GLN . 76.3 m-85 -100.82 -54.2 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.548 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.61 28.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -106.92 151.15 25.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.465 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 19.5 m -62.95 125.97 25.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 52.94 27.98 6.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -53.82 159.37 2.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.571 0.7 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 -28.82 25.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.609 2.206 . . . . 0.0 112.43 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 53' ' ' GLU . 8.1 mtpp -123.63 17.65 9.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -41.26 96.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.1 m -55.23 178.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -94.35 98.83 11.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.5 pt -146.52 113.25 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -53.01 154.64 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.803 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -44.4 -34.78 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.804 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -50.77 -70.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 63.4 m -62.83 -43.73 98.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.178 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.05 -49.58 40.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.22 -45.19 91.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.3 mm -43.6 -64.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 94.4 m -42.14 -51.95 4.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.3 mtp -47.82 -55.38 9.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -61.9 -21.68 64.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -91.08 7.04 42.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.529 HD13 ' CD2' ' A' ' 81' ' ' TYR . 40.9 mt -92.3 -2.69 56.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.967 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.409 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 14.5 t -78.37 -59.18 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 2.8 mm-40 -121.18 50.14 1.98 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.7 Cg_endo -69.74 133.03 24.62 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.1 m -127.65 -69.17 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.8 mt -133.08 -44.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 92.0 p -88.2 21.64 2.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.793 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.4 p -57.17 -40.16 76.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.408 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 98.5 m-85 -111.99 43.23 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -49.24 35.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 7.0 tpp -69.02 -56.64 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.36 -46.55 66.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.408 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 39.0 tt0 -57.21 -56.62 19.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -63.72 -29.62 70.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.407 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -64.38 -51.44 63.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 10.9 mm -71.04 -43.12 76.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -54.93 -36.84 65.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.19 -23.83 61.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.489 HD23 ' ND2' ' A' ' 54' ' ' ASN . 0.8 OUTLIER -80.17 -40.41 27.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.953 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 37.6 mtm -74.29 -10.94 60.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.422 ' HA ' ' CB ' ' A' ' 131' ' ' LEU . 3.8 pt-20 -99.86 -21.84 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -109.74 -9.31 14.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -115.81 -65.09 1.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 134' ' ' PHE . 44.8 m -71.87 -57.41 4.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.555 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.8 tp -37.75 -55.95 1.96 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.595 0.712 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.2 Cg_endo -69.87 -21.05 33.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.294 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 130' ' ' SER . 60.7 mtt180 -94.31 -12.93 27.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 130' ' ' SER . 23.4 t80 -88.59 -29.5 19.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.519 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 30.5 m -68.13 -34.03 64.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -75.85 -27.57 57.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 138' ' ' GLU . 28.4 p -73.11 138.17 45.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 140' ' ' TYR . 0.8 OUTLIER -37.06 -52.8 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.504 ' C ' ' O ' ' A' ' 138' ' ' GLU . 63.8 m-85 -29.07 -40.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.519 ' CG ' ' HA ' ' A' ' 135' ' ' VAL . 53.3 t80 -83.49 -48.47 10.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 138' ' ' GLU . 76.3 mm-40 -48.15 -32.25 6.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -79.11 -25.18 43.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 140' ' ' TYR . 33.2 mt -73.98 -32.86 63.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.437 HG23 ' CE1' ' A' ' 140' ' ' TYR . 29.7 pt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.913 0.387 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.417 HD11 ' C ' ' A' ' 19' ' ' LEU . 0.7 OUTLIER -55.49 -60.28 3.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -54.69 -14.63 1.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 24' ' ' GLN . 18.1 tt0 -86.54 -59.08 2.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.59 -35.2 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.169 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -69.84 -38.03 76.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 21' ' ' GLU . 33.9 mt-30 -55.89 -22.03 23.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 48.3 m0 -71.45 -21.33 61.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -78.49 -41.64 31.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -55.06 -57.84 10.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -134.27 122.71 23.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 tp -44.63 -45.92 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 31' ' ' LYS . 11.1 t0 -36.7 -64.36 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 30' ' ' ASP . 16.7 mmtm -35.46 -43.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.44 HD23 ' CG ' ' A' ' 42' ' ' PHE . 26.1 tp -62.73 -66.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.436 HD22 ' CD2' ' A' ' 42' ' ' PHE . 57.8 mt -47.78 -46.64 30.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -55.57 -44.58 76.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -72.35 127.75 33.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -58.79 -45.61 89.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.401 ' CE2' ' CD2' ' A' ' 143' ' ' LEU . 2.0 t80 -61.12 -54.48 44.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.39 -46.75 93.74 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.433 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.418 ' CD1' HD23 ' A' ' 33' ' ' LEU . 29.5 tp -55.06 -61.63 2.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.21 -60.29 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.032 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -57.96 -46.85 84.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.525 ' CD2' HD11 ' A' ' 55' ' ' LEU . 28.5 t80 -49.22 -46.37 45.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -58.72 -62.62 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 t -41.66 -41.66 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.448 ' CE2' ' HA ' ' A' ' 134' ' ' PHE . 44.4 t80 -59.44 -49.91 75.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 74.6 mt -55.06 -46.11 75.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -51.15 -52.63 42.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.0 t -60.46 -30.99 70.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.43 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 39.7 mm-40 -88.64 -12.88 41.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 46' ' ' LEU . 24.4 m-85 72.04 34.7 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.815 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.2 m -130.89 37.04 3.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -76.54 -22.61 54.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -57.36 -32.78 67.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.478 ' ND2' HD22 ' A' ' 125' ' ' LEU . 2.5 m-20 -59.7 -52.53 65.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.525 HD11 ' CD2' ' A' ' 42' ' ' PHE . 1.2 tt -63.84 -46.8 83.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -41.75 -57.73 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -49.24 -36.25 19.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -68.12 -60.64 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.402 ' CD1' HD21 ' A' ' 55' ' ' LEU . 27.4 mt -47.59 -46.38 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.4 -46.86 86.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.7 m -51.99 -56.15 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.04 -36.94 78.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -69.51 -34.09 73.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.543 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -64.66 -36.15 83.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.8 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.6 mttt -61.51 -30.1 70.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -67.66 -2.63 7.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.946 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.488 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 57.4 mt -88.56 130.35 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.35 -25.21 8.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -53.21 139.8 44.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.656 0.741 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -15.45 37.34 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.9 -60.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.488 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -49.34 -40.41 35.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.6 mtp -57.0 -33.88 67.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.46 -53.08 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.458 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . 9.5 mt-10 -57.98 -58.1 9.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 27.2 tptt -49.92 -33.06 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.81 -44.54 90.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.087 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.458 ' CE ' ' HA ' ' A' ' 75' ' ' GLU . 1.7 ptpt -69.33 -38.0 77.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -52.93 -50.88 63.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.8 mt -64.01 -29.13 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.604 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -74.81 -45.79 41.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.461 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 4.9 mm-40 -66.11 -8.54 24.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 18.1 tt0 -104.84 -53.38 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.432 ' C ' ' H ' ' A' ' 86' ' ' GLN . 67.6 m-85 -99.99 -53.63 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.535 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.21 25.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.489 ' HG3' ' N ' ' A' ' 87' ' ' THR . 0.0 OUTLIER -105.4 152.96 22.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.489 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 46.1 m -58.74 132.76 54.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 40.54 32.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -52.73 162.66 0.92 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 0.0 111.073 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -32.72 18.09 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.636 2.224 . . . . 0.0 112.366 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -124.02 19.54 9.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -45.87 97.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.1 m -51.82 -179.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -94.83 103.25 15.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -150.39 113.07 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -53.13 160.85 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -47.83 -35.67 10.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -51.71 -70.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 90.6 m -59.9 -51.61 68.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.55 -49.86 13.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.72 -46.76 81.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.5 mm -43.62 -66.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 88.7 m -39.44 -51.57 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.8 mtp -48.43 -57.05 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -60.1 -17.38 39.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -92.88 -3.37 54.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.524 HD13 ' CD2' ' A' ' 81' ' ' TYR . 92.9 mt -85.07 4.4 34.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.3 p -92.03 -42.94 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.618 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 38.5 mm-40 -130.8 43.53 1.14 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.615 0.721 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.6 Cg_endo -69.71 135.71 31.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.383 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.6 t -133.4 -67.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.1 mt -134.81 -38.9 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 51.2 p -95.74 24.16 5.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.1 m -53.85 -49.59 68.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.432 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 42.7 m-85 -102.83 38.81 1.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -64.17 -41.89 96.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 6.2 tpp -78.76 -59.59 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.41 -41.41 39.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.432 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 46.4 tt0 -60.94 -56.9 15.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -27.66 69.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -51.35 62.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 11.7 mm -69.93 -42.98 79.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -54.85 -35.86 64.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.87 -21.4 60.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.478 HD22 ' ND2' ' A' ' 54' ' ' ASN . 0.8 OUTLIER -84.81 -44.67 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.928 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.413 ' SD ' ' HA ' ' A' ' 55' ' ' LEU . 42.6 mtm -67.44 -10.87 55.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.479 ' HA ' ' CB ' ' A' ' 131' ' ' LEU . 5.0 pt-20 -98.52 -21.94 16.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.42 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -112.02 -5.32 14.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' A' ' 132' ' ' PRO . 16.7 t0 -115.43 -67.33 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 134' ' ' PHE . 22.5 p -75.56 -53.22 8.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.59 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.1 tp -39.79 -54.25 4.23 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.66 0.743 . . . . 0.0 110.962 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 52.7 Cg_endo -69.83 -19.8 35.32 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.672 2.248 . . . . 0.0 112.326 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.5 mmm180 -96.05 -14.08 23.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 130' ' ' SER . 20.2 t80 -87.65 -40.39 14.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.445 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 33.0 m -64.0 -23.45 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -71.75 -41.0 68.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 138' ' ' GLU . 53.4 p -69.27 135.37 50.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.786 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 139' ' ' PHE . 1.2 mt-10 -36.27 -36.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 138' ' ' GLU . 72.8 m-85 -34.55 -42.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.445 ' CB ' ' HA ' ' A' ' 135' ' ' VAL . 69.5 t80 -83.71 -43.39 15.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -52.94 -34.93 57.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -74.76 -17.12 60.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 140' ' ' TYR . 33.9 mt -80.5 -21.95 41.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 26.2 pt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.874 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.955 0.407 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.457 ' CD1' HD13 ' A' ' 23' ' ' LEU . 1.2 tm? -58.75 -56.34 23.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -53.03 -22.37 5.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 24' ' ' GLN . 3.8 tp10 -81.72 -58.48 2.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -38.53 -35.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.116 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.457 HD13 ' CD1' ' A' ' 19' ' ' LEU . 2.3 mt -71.69 -39.72 70.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 21' ' ' GLU . 24.1 mt-30 -55.95 -21.89 23.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.411 ' CE3' ' HA ' ' A' ' 22' ' ' ALA . 45.2 m0 -69.64 -18.69 63.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -79.34 -36.68 39.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -53.19 -58.67 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.2 t -135.46 136.41 41.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.82 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.5 tp -53.3 -42.33 66.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' LYS . 4.7 m-20 -46.06 -61.75 1.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.2 mtpm? -36.41 -41.89 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.403 HD11 ' CD2' ' A' ' 25' ' ' TRP . 30.6 tp -66.34 -63.72 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.1 mt -48.15 -50.41 28.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -50.59 -45.64 57.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.19 124.62 25.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -57.2 -46.94 82.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.48 -57.14 14.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.958 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.2 -40.41 95.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.2 tp -61.34 -63.11 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -40.33 -52.23 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.9 m -65.63 -45.74 81.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.768 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.431 ' CD2' HD11 ' A' ' 55' ' ' LEU . 18.8 t80 -50.74 -43.79 58.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -61.07 -64.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 t -38.94 -46.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.808 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.535 ' CZ ' ' HG3' ' A' ' 49' ' ' GLU . 29.3 t80 -54.3 -46.76 72.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 51.9 mt -57.5 -46.07 84.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -45.89 -53.83 9.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.8 t -62.62 -42.45 99.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.816 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.535 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 13.2 mm-40 -73.81 -14.67 61.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' LEU . 22.3 m-85 69.4 35.56 2.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.5 m -131.19 36.61 3.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.839 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -76.2 -23.07 54.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.487 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 25.6 pm0 -56.7 -32.03 65.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.487 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 4.7 m-20 -61.76 -49.52 76.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -66.87 -51.27 57.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.413 ' CD ' ' HE2' ' A' ' 91' ' ' LYS . 13.6 mt-10 -39.09 -59.51 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -46.76 -34.25 5.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' LEU . 39.2 t90 -72.46 -63.74 1.09 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.419 HG13 ' CD2' ' A' ' 55' ' ' LEU . 44.9 mt -44.34 -44.86 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.86 -54.31 48.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.144 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 51.9 m -42.59 -55.53 3.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -55.4 -41.25 72.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.84 -16.99 64.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.565 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -88.62 -27.25 21.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.003 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -68.79 -34.04 74.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -78.68 12.53 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.492 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 26.5 mt -90.24 113.83 26.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 69' ' ' SER . 2.8 pptp? -94.33 -32.4 13.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.405 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 3.1 m -49.62 134.16 19.31 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.66 0.743 . . . . 0.0 110.864 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.64 -29.01 25.15 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.696 2.264 . . . . 0.0 112.388 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.83 -45.4 12.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.492 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 2.8 tptm -60.4 -52.1 66.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.412 ' O ' ' CE2' ' A' ' 64' ' ' TYR . 14.1 mtp -42.18 -39.63 2.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.04 -61.71 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.037 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -47.96 -56.21 8.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -51.09 -46.04 61.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.04 -48.13 16.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.14 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.481 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 4.1 pttp -62.73 -38.35 90.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.481 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 20.4 mt-30 -53.92 -51.46 63.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.9 mt -61.11 -29.61 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.604 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -76.58 -46.03 27.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.48 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 15.6 mt-10 -65.75 -8.28 20.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 20.6 tt0 -106.15 -52.15 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.413 ' C ' ' H ' ' A' ' 86' ' ' GLN . 62.9 m-85 -100.78 -54.03 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.563 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.2 mm -80.24 28.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.182 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -105.52 150.52 25.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.449 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 20.2 m -61.17 123.18 16.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 53.45 27.51 6.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -50.69 161.4 0.65 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.54 0.686 . . . . 0.0 111.083 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -28.23 25.22 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.691 2.26 . . . . 0.0 112.306 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.413 ' HE2' ' CD ' ' A' ' 56' ' ' GLU . 8.7 mtpp -124.25 17.9 9.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.814 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -40.19 99.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.468 ' CG2' HD12 ' A' ' 95' ' ' ILE . 29.0 m -58.92 -179.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -94.92 99.59 11.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.468 HD12 ' CG2' ' A' ' 93' ' ' VAL . 1.0 OUTLIER -149.25 112.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -50.92 162.39 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -50.17 -38.69 40.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -48.39 -69.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.2 m -60.94 -52.38 65.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.173 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.64 -46.41 7.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -60.76 -44.26 96.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.491 HG13 ' CE ' ' A' ' 117' ' ' MET . 30.8 mm -43.72 -63.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.483 HG21 ' CE2' ' A' ' 115' ' ' PHE . 89.0 m -43.08 -52.22 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.0 mtp -48.8 -57.13 6.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -60.43 -13.57 14.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -97.31 -0.05 47.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.521 HD11 ' CD2' ' A' ' 81' ' ' TYR . 98.1 mt -88.24 3.39 49.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 109' ' ' GLU . 7.4 p -90.73 -40.87 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.615 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 6.1 mm-40 -133.93 43.95 1.13 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.652 0.739 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.78 125.59 12.31 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.627 2.218 . . . . 0.0 112.399 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.4 t -120.1 -67.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.6 mt -133.64 -45.28 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.1 p -90.63 24.01 2.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.435 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 6.1 p -53.37 -38.76 63.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.866 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.483 ' CE2' HG21 ' A' ' 103' ' ' THR . 69.1 m-85 -115.32 48.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -78.64 -50.23 11.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.491 ' CE ' HG13 ' A' ' 102' ' ' ILE . 0.5 OUTLIER -65.42 -59.42 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.93 -43.17 63.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.15 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.41 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 5.2 tp60 -58.63 -58.74 7.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -61.08 -26.79 67.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -53.06 37.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 8.0 mm -68.07 -46.45 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.403 ' ND1' ' C ' ' A' ' 123' ' ' HIS . 3.6 t-80 -52.47 -36.49 54.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' ' 128' ' ' LYS . . . -72.21 -22.74 61.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -84.44 -35.2 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 50.3 mtm -75.55 -9.04 58.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.469 ' HA ' ' CB ' ' A' ' 131' ' ' LEU . 3.3 pt-20 -96.76 -25.19 15.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 124' ' ' ALA . 2.7 pttp -112.65 -5.35 13.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.807 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 9.0 t0 -110.19 -67.17 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.878 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 133' ' ' ARG . 93.2 p -80.85 -54.91 5.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.609 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.1 tp -35.13 -53.04 1.17 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.6 Cg_endo -69.79 -27.89 25.77 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.298 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 130' ' ' SER . 19.1 mtp180 -87.42 -14.23 41.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 130' ' ' SER . 22.4 t80 -82.22 -52.69 6.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.437 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 32.5 m -53.74 -27.7 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.407 ' NH1' HG23 ' A' ' 135' ' ' VAL . 3.3 mmt-85 -68.15 -47.85 66.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 138' ' ' GLU . 54.3 p -61.65 135.48 57.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 139' ' ' PHE . 3.7 mm-40 -36.39 -35.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' A' ' 138' ' ' GLU . 44.5 m-85 -34.07 -42.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 143' ' ' LEU . 63.1 t80 -84.02 -49.27 9.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -44.72 -30.5 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 3.6 pt-20 -78.85 -32.25 45.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 140' ' ' TYR . 30.9 mt -64.32 -35.13 79.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 31.5 pt . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.867 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.423 ' C ' HD12 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -51.05 -62.87 1.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -52.19 -19.63 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 24' ' ' GLN . 2.7 tp10 -82.29 -57.97 3.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.59 -33.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -73.4 -38.56 65.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 21' ' ' GLU . 27.4 mt-30 -56.32 -19.54 14.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.497 ' CD2' HD12 ' A' ' 32' ' ' LEU . 46.8 m0 -71.28 -19.61 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 26' ' ' ARG . 37.1 mtp180 -76.26 -40.58 51.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.23 -60.28 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.0 t -134.08 129.22 35.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.771 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 tp -48.83 -40.34 28.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -47.1 -57.45 5.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -41.76 -36.33 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.497 HD12 ' CD2' ' A' ' 25' ' ' TRP . 32.4 tp -71.07 -62.09 1.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.454 HD21 ' CD1' ' A' ' 39' ' ' LEU . 30.7 mt -50.33 -48.73 55.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.961 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -49.44 -47.63 48.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -73.21 133.8 44.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -59.81 -58.08 10.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.409 ' CE2' ' CD2' ' A' ' 143' ' ' LEU . 1.9 t80 -49.73 -52.56 30.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.436 ' CA ' HD13 ' A' ' 32' ' ' LEU . . . -60.11 -47.53 90.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.51 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.454 ' CD1' HD21 ' A' ' 33' ' ' LEU . 40.8 tp -58.26 -65.03 0.71 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.795 0.331 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.39 -52.49 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 t -62.1 -53.1 60.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -46.47 -44.68 17.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -55.72 -61.13 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -44.27 -46.66 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -51.89 -45.77 64.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 80.0 mt -65.03 -43.41 92.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -48.54 -53.81 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m -65.29 -41.24 94.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -73.45 -12.76 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' LEU . 30.5 m-85 68.9 36.16 2.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.9 m -130.98 35.31 3.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -75.29 -25.44 57.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 91' ' ' LYS . 4.0 pt-20 -54.16 -36.58 63.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.477 ' ND2' HD23 ' A' ' 125' ' ' LEU . 4.5 m-20 -57.75 -53.87 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.474 ' HB2' ' CD1' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -61.73 -51.03 70.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -39.22 -54.68 1.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -50.17 -35.71 27.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' LEU . 53.1 t90 -71.0 -60.12 2.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.409 HG13 ' CD2' ' A' ' 55' ' ' LEU . 36.1 mt -49.58 -46.88 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.83 -51.92 67.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.3 m -45.01 -64.08 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -48.03 -42.28 27.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -63.87 -25.81 68.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.599 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -82.52 -20.54 36.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.835 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -69.15 -34.08 74.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.843 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -81.09 19.36 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.915 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 22.1 mt -96.18 116.07 37.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.407 ' C ' ' HD3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -99.59 -35.73 9.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -43.78 135.01 3.77 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.667 0.746 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 -26.39 28.15 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.36 -37.3 14.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.468 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 2.7 tptm -68.66 -50.09 53.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.407 ' N ' HG22 ' A' ' 67' ' ' ILE . 8.8 mtp -46.93 -35.99 7.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.876 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.54 -59.35 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -50.94 -59.8 3.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.445 ' HG2' ' CD1' ' A' ' 67' ' ' ILE . 42.6 tptt -46.47 -46.73 19.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.06 -52.08 15.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.467 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -58.38 -38.31 77.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.467 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 55.8 mt-30 -54.01 -55.78 24.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 41.0 mt -57.64 -26.0 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.616 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -80.31 -43.56 21.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.462 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 9.2 mt-10 -67.89 -8.56 37.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 14.3 tt0 -105.78 -51.83 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.427 ' C ' ' H ' ' A' ' 86' ' ' GLN . 69.5 m-85 -100.56 -53.89 2.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.549 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.72 26.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -106.21 154.97 19.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.454 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 91.3 m -59.86 135.61 57.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 37.55 31.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.806 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -51.28 160.66 0.88 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.583 0.706 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -29.39 23.99 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.732 2.288 . . . . 0.0 112.391 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 53' ' ' GLU . 7.3 mtpp -123.97 17.61 9.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -41.25 100.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.8 m -57.93 179.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -94.24 94.44 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.3 pt -143.46 112.92 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -52.03 163.07 0.39 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -51.83 -38.82 57.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -49.39 -64.96 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 38.1 m -64.93 -48.39 74.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.144 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.18 -44.86 22.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -61.9 -45.44 93.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.802 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.7 mm -44.77 -64.4 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.525 HG22 ' CE2' ' A' ' 115' ' ' PHE . 84.8 m -41.16 -52.24 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.3 mtp -47.57 -56.47 7.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.84 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -60.2 -19.56 54.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -92.17 6.29 47.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 81' ' ' TYR . 40.4 mt -92.16 -1.99 56.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.0 t -77.41 -58.26 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 1.0 OUTLIER -124.19 50.69 3.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.73 . . . . 0.0 110.857 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.8 Cg_endo -69.75 132.02 22.47 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.727 2.285 . . . . 0.0 112.369 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.5 m -124.23 -71.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.4 mt -131.93 -44.32 0.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.9 m -91.69 22.89 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.435 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 2.6 p -58.54 -41.21 85.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.869 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.525 ' CE2' HG22 ' A' ' 103' ' ' THR . 90.8 m-85 -106.41 31.67 5.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -59.68 -54.33 47.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 4.1 tpp -62.64 -60.87 2.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.65 -39.9 18.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.039 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -65.87 -54.81 21.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -63.08 -27.89 69.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.437 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -66.15 -60.03 3.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 13.0 mm -61.21 -42.01 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.21 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -55.64 -37.1 67.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.12 -19.16 62.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.477 HD23 ' ND2' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -86.7 -55.76 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.0 mtm -58.5 -10.65 2.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.453 ' HA ' ' CB ' ' A' ' 131' ' ' LEU . 4.9 pt-20 -97.28 -26.1 15.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 -1.27 15.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.1 t70 -116.58 -66.67 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 133' ' ' ARG . 5.3 p -79.49 -52.41 8.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.61 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.5 tp -38.91 -52.72 3.71 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.621 0.724 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.7 Cg_endo -69.75 -22.25 32.41 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.595 2.197 . . . . 0.0 112.382 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 130' ' ' SER . 38.0 mmm-85 -93.2 -14.67 26.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.0 t80 -85.92 -33.41 21.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.515 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 34.2 m -70.78 -22.98 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 27.5 mmm-85 -75.25 -46.82 31.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 91.7 p -57.24 169.46 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 139' ' ' PHE . 1.6 tt0 -68.56 -39.91 80.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 138' ' ' GLU . 94.6 m-85 -36.92 -39.4 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.515 ' CG ' ' HA ' ' A' ' 135' ' ' VAL . 63.1 t80 -86.81 -56.14 3.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.451 ' C ' HD13 ' A' ' 144' ' ' ILE . 90.7 mm-40 -42.4 -30.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 5.5 pt-20 -76.65 -34.87 58.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 140' ' ' TYR . 58.9 mt -53.15 -32.5 48.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.451 HD13 ' C ' ' A' ' 141' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.884 0.374 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.93 -55.86 22.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -57.48 -12.18 2.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 24' ' ' GLN . 4.5 tp10 -91.0 -59.14 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.558 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -38.8 -29.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 21' ' ' GLU . 2.0 mt -76.94 -41.09 44.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 21' ' ' GLU . 13.2 mt-30 -55.51 -15.81 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.968 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.558 ' CE3' ' HA ' ' A' ' 22' ' ' ALA . 40.0 m0 -71.79 -23.03 61.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -72.81 -38.79 67.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.825 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -50.72 -59.16 4.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.5 t -135.32 138.51 43.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.5 tp -56.89 -30.09 63.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -56.06 -57.15 13.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' O ' ' CD1' ' A' ' 25' ' ' TRP . 12.1 mtpp -46.4 -25.71 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.8 tp -81.78 -59.13 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.428 HD23 ' CD1' ' A' ' 39' ' ' LEU . 44.9 mt -54.81 -47.14 74.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -53.15 -45.94 68.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -74.38 114.36 12.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -42.8 -59.32 2.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -45.72 -61.24 1.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -53.13 -50.0 53.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.428 ' CD1' HD23 ' A' ' 33' ' ' LEU . 25.0 tp -55.14 -63.96 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.32 -54.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.2 t -65.19 -38.25 89.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -58.06 -39.24 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HG2' ' CD1' ' A' ' 55' ' ' LEU . 35.7 mtpt -64.44 -63.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 t -39.77 -41.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.477 ' CD2' HD11 ' A' ' 46' ' ' LEU . 10.9 t80 -56.09 -49.92 72.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.477 HD11 ' CD2' ' A' ' 45' ' ' PHE . 7.1 mp -55.41 -49.08 73.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -44.0 -37.82 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.5 t -68.06 -36.57 80.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -91.96 -3.82 55.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 63.69 28.84 15.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.15 25.05 10.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.419 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 16.2 tt0 -65.57 -13.75 59.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.46 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 23.0 pm0 -66.63 -34.81 78.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.487 ' ND2' HD21 ' A' ' 125' ' ' LEU . 12.4 m-20 -59.51 -33.83 71.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD1' ' HG2' ' A' ' 43' ' ' LYS . 1.1 tt -79.51 -45.3 19.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -46.19 -52.1 13.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.403 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 18.1 t80 -52.74 -36.02 57.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -69.98 -62.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.465 ' CD1' HD23 ' A' ' 55' ' ' LEU . 38.2 mt -46.5 -42.74 5.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.094 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.78 -41.67 82.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 57' ' ' PHE . 33.8 m -56.74 -53.29 59.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.64 -32.14 71.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -72.76 -32.32 65.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.532 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -69.86 -29.15 66.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -64.78 -21.24 66.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -85.47 18.32 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.501 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 22.6 mt -105.07 132.9 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.46 -6.01 8.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 t -71.34 135.96 84.21 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -8.64 24.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.245 . . . . 0.0 112.381 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -104.96 -44.81 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.501 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 4.2 tptp -70.09 -46.74 64.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.48 ' HG3' ' CG2' ' A' ' 67' ' ' ILE . 11.3 mtp -49.03 -34.02 12.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.2 -58.39 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -54.31 -57.58 10.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HZ2' ' CD1' ' A' ' 80' ' ' ILE . 24.3 tptp -44.74 -37.99 4.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.52 -48.93 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -58.67 -34.35 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -61.87 -58.32 8.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.401 ' CD1' ' HZ2' ' A' ' 76' ' ' LYS . 31.2 mt -55.79 -25.14 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.127 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.613 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -82.2 -44.16 16.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 6.5 mm-40 -67.2 -8.38 30.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 15.6 tt0 -105.36 -53.1 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.428 ' C ' ' H ' ' A' ' 86' ' ' GLN . 65.6 m-85 -99.63 -53.51 3.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.544 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.56 25.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.195 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -106.17 152.74 23.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' ALA . 31.7 m -57.11 137.14 56.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 87' ' ' THR . 13.3 pt-20 35.88 31.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -49.18 160.91 0.48 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.699 . . . . 0.0 111.132 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -32.73 18.06 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.688 2.258 . . . . 0.0 112.346 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 92' ' ' GLU . 9.6 mtpp -122.64 11.86 9.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 91' ' ' LYS . 58.6 tt0 -35.2 105.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 36.0 m -58.93 -176.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -97.38 92.19 5.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.2 pt -139.78 113.86 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -53.35 155.49 2.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.966 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -45.44 -34.92 3.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -52.07 -70.78 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 56.2 m -59.26 -49.26 78.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.49 -48.06 19.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.22 -43.67 92.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 24.6 mm -46.9 -63.63 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 95.0 m -42.14 -51.84 4.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mtp -45.77 -53.44 9.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -62.82 -21.99 66.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -89.64 6.91 39.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.803 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.586 HD11 ' CD2' ' A' ' 81' ' ' TYR . 23.3 mt -92.44 -3.29 55.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.7 t -77.49 -58.72 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 1.6 pt-20 -122.72 51.22 3.26 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.682 0.753 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.78 137.08 34.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.3 t -132.63 -70.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.775 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.5 mt -132.5 -45.26 0.9 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.6 p -88.57 20.76 3.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 p -57.67 -49.02 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -99.53 29.14 4.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -58.26 -54.72 43.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 3.4 tpp -63.65 -63.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.13 -42.39 8.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -63.46 -54.54 34.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -63.8 -25.12 68.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.453 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -71.07 -49.81 40.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.1 mm -72.69 -42.57 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -54.31 -39.45 67.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.83 -22.86 62.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.487 HD21 ' ND2' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -81.03 -38.15 27.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 44.9 mtm -76.04 -11.13 59.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.425 ' HA ' ' CB ' ' A' ' 131' ' ' LEU . 4.1 pt-20 -99.45 -21.6 15.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -109.35 -10.36 14.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.503 ' O ' ' CG ' ' A' ' 133' ' ' ARG . 7.7 t70 -113.54 -65.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 133' ' ' ARG . 40.7 m -73.01 -59.69 2.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.558 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 4.2 tp -34.11 -56.09 0.76 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.2 Cg_endo -69.75 -26.45 27.62 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.266 . . . . 0.0 112.275 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 130' ' ' SER . 15.4 mmm180 -88.26 -12.82 42.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 130' ' ' SER . 14.4 t80 -86.53 -38.14 17.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.459 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 27.6 m -67.11 -15.48 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 22.8 mmm-85 -82.57 -38.64 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 75.2 p -71.71 138.84 48.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 140' ' ' TYR . 0.8 OUTLIER -38.56 -43.64 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.472 ' C ' ' O ' ' A' ' 138' ' ' GLU . 86.9 m-85 -32.19 -37.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 143' ' ' LEU . 73.1 t80 -87.96 -53.58 4.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.049 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.429 ' CA ' HD12 ' A' ' 144' ' ' ILE . 57.5 mm-40 -40.94 -40.45 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -34.5 76.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 140' ' ' TYR . 83.6 mt -52.56 -21.54 3.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.429 HD12 ' CA ' ' A' ' 141' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.029 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.838 0.352 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.429 HD13 ' C ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -47.1 -62.92 1.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -51.39 -16.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 24' ' ' GLN . 10.8 tt0 -85.5 -58.36 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.559 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -41.09 -32.37 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -74.22 -37.48 63.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' GLU . 12.4 mt-30 -55.12 -19.59 7.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.559 ' CE3' ' HA ' ' A' ' 22' ' ' ALA . 34.4 m0 -74.43 -23.47 58.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -71.06 -41.86 70.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -54.73 -57.84 9.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -135.3 137.59 42.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.0 tp -56.75 -45.67 81.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -38.38 -59.61 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.455 ' C ' ' HG2' ' A' ' 34' ' ' GLN . 14.2 mmtm -40.17 -37.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.52 HD22 ' CG ' ' A' ' 42' ' ' PHE . 27.0 tp -67.75 -66.78 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.2 mt -45.41 -52.55 9.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.455 ' HG2' ' C ' ' A' ' 31' ' ' LYS . 6.6 pt20 -50.74 -34.87 28.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.444 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 3.1 t-20 -82.01 132.43 35.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.47 ' CG ' ' N ' ' A' ' 37' ' ' TYR . 4.9 p30 -60.02 -54.58 44.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.47 ' N ' ' CG ' ' A' ' 36' ' ' ASN . 1.8 t80 -58.45 -54.2 49.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.89 -42.17 85.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.472 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.5 tp -62.6 -63.33 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.66 -57.03 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.0 p -60.84 -35.61 77.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.52 ' CG ' HD22 ' A' ' 32' ' ' LEU . 22.0 t80 -61.65 -40.06 93.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.838 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HG2' ' CD1' ' A' ' 55' ' ' LEU . 34.3 mtpt -62.71 -62.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' LYS . 2.6 t -37.89 -55.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -44.56 -46.07 9.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.421 ' HB3' ' C ' ' A' ' 51' ' ' SER . 87.1 mt -65.39 -51.66 58.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -42.01 -42.13 2.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.4 t -75.77 -36.78 59.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.531 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 4.7 mm-40 -87.94 16.84 5.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.531 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 50.1 p90 45.68 29.72 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.421 ' C ' ' HB3' ' A' ' 46' ' ' LEU . 47.4 m -116.76 25.1 10.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.791 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -71.11 -23.55 62.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 9.6 pm0 -61.65 -29.13 69.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.46 ' ND2' HD22 ' A' ' 125' ' ' LEU . 2.1 m-20 -61.03 -51.27 69.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.438 ' CD1' ' HG2' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -66.22 -49.04 68.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.945 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -39.6 -59.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -46.3 -33.46 3.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.418 ' CD1' ' NE2' ' A' ' 119' ' ' GLN . 28.3 t90 -73.25 -65.6 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.406 HG13 ' CD2' ' A' ' 55' ' ' LEU . 50.3 mt -45.3 -42.85 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.14 -53.89 51.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.052 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 55.8 m -44.72 -60.83 1.83 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -48.93 -41.77 34.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -65.96 -23.29 66.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -83.43 -19.14 36.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.973 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -72.24 -33.39 67.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -81.44 19.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 10.5 mt -98.26 112.54 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -95.69 -32.45 12.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.809 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.415 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 2.1 m -46.76 133.33 8.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.656 0.741 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -24.56 29.27 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.503 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -91.58 -36.32 13.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.084 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.468 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -70.92 -47.78 57.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.837 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.6 mtp -48.99 -37.04 19.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.26 -54.79 3.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 5.0 mm-40 -54.57 -59.26 4.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 28.5 tptt -46.94 -42.8 18.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.69 -49.4 57.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.057 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.7 pttp -59.24 -34.04 71.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -60.47 -58.38 8.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.6 mt -53.7 -32.93 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.616 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -75.93 -44.02 42.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.476 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 6.3 mm-40 -67.04 -8.76 32.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 16.9 tt0 -105.47 -51.08 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.439 ' C ' ' H ' ' A' ' 86' ' ' GLN . 68.0 m-85 -101.91 -54.72 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.561 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.3 mm -78.84 26.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -104.83 152.2 22.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.483 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 84.0 m -58.34 126.18 26.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.181 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 46.22 30.21 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -50.43 162.11 0.56 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.614 0.721 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -29.47 23.99 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.756 2.304 . . . . 0.0 112.319 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -123.82 16.98 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -41.41 100.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 23.4 m -57.99 -175.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -98.42 98.44 9.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.2 pt -145.72 112.84 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -52.58 160.39 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -48.58 -38.52 20.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -48.46 -70.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.8 m -60.3 -53.56 56.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.37 -47.15 6.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.975 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.4 -44.46 95.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.2 mm -46.29 -63.73 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.7 m -41.58 -51.15 4.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.5 mtp -48.01 -55.39 10.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -61.66 -14.42 30.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -95.94 0.32 51.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' A' ' 81' ' ' TYR . 92.3 mt -89.21 2.86 53.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.6 p -89.29 -41.42 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 50.6 mt-10 -134.38 44.94 1.32 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.661 0.743 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.6 Cg_endo -69.74 132.36 23.2 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.708 2.272 . . . . 0.0 112.381 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -127.08 -67.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.0 mt -133.58 -45.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.4 p -92.87 25.11 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 4.2 p -56.81 -42.02 78.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -107.02 38.53 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.77 -60.09 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 6.9 tpp -57.18 -59.52 4.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.13 -44.15 42.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.064 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.418 ' NE2' ' CD1' ' A' ' 58' ' ' TRP . 5.6 tp60 -60.64 -56.66 18.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -63.03 -26.85 69.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.457 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -66.76 -56.69 9.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 11.3 mm -64.68 -43.22 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -53.52 -38.66 63.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.783 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.41 -23.22 62.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.04 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.46 HD22 ' ND2' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -82.55 -41.5 19.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.423 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 44.1 mtm -72.66 -11.44 60.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 131' ' ' LEU . 4.4 pt-20 -98.5 -24.12 15.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.423 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -111.01 -4.35 15.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 29.8 t70 -115.71 -65.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 134' ' ' PHE . 20.1 m -77.18 -57.44 3.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.596 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 4.6 tp -35.55 -53.85 1.3 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.584 0.707 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.9 Cg_endo -69.77 -26.36 27.59 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 130' ' ' SER . 79.1 mtt180 -90.73 -12.71 35.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.3 t80 -87.84 -30.35 20.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.437 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 28.9 m -71.67 -41.06 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 25.9 mtt85 -58.44 -44.88 89.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 59.7 p -60.04 160.06 8.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 139' ' ' PHE . 3.1 tt0 -62.36 -37.69 86.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 138' ' ' GLU . 79.7 m-85 -37.71 -37.49 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.451 ' O ' ' N ' ' A' ' 143' ' ' LEU . 62.7 t80 -89.72 -48.78 7.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.445 ' C ' HD13 ' A' ' 144' ' ' ILE . 84.7 mm-40 -44.8 -30.77 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 4.1 pt-20 -76.49 -32.09 58.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.47 ' N ' ' HG3' ' A' ' 142' ' ' GLU . 69.6 mt -56.07 -31.36 63.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.445 HD13 ' C ' ' A' ' 141' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.944 0.402 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.419 ' C ' HD12 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -42.33 -62.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.08 -28.68 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 24' ' ' GLN . 4.1 tt0 -78.23 -60.52 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -38.27 -32.49 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -73.15 -40.72 64.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.508 ' N ' ' O ' ' A' ' 21' ' ' GLU . 52.2 mt-30 -54.17 -21.25 8.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.981 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 50.9 m0 -71.62 -23.57 61.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -70.8 -41.75 71.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -48.85 -60.33 2.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.8 m -135.18 149.53 49.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.483 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 12.9 tp -62.28 -49.34 76.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -41.93 -50.71 4.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -46.96 -36.81 8.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.0 tp -71.42 -66.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.441 HD22 ' CD1' ' A' ' 39' ' ' LEU . 30.6 mt -47.22 -48.76 24.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -43.18 -50.83 6.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -72.98 130.36 40.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -55.43 -57.41 12.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -50.58 -57.93 7.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.32 -45.56 74.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.441 ' CD1' HD22 ' A' ' 33' ' ' LEU . 35.0 tp -58.48 -61.64 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.34 . . . . 0.0 110.854 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.76 -50.28 5.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.7 p -64.4 -46.68 82.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.568 ' CD2' HD12 ' A' ' 55' ' ' LEU . 32.5 t80 -51.74 -51.81 53.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -49.62 -62.51 1.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.7 t -42.83 -52.12 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -44.83 -37.47 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.6 mp -75.04 -51.36 13.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -40.14 -40.39 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 t -71.19 -42.97 68.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.52 -6.93 55.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 64.15 36.2 9.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -129.77 32.06 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.828 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -68.93 -29.97 68.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -48.28 -37.55 16.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.456 ' C ' ' SD ' ' A' ' 126' ' ' MET . 4.3 m-20 -56.99 -37.85 72.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.568 HD12 ' CD2' ' A' ' 42' ' ' PHE . 1.3 tt -80.68 -44.08 19.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -45.05 -49.31 11.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -54.68 -37.94 66.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -66.73 -60.54 2.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.432 ' CD1' HD22 ' A' ' 55' ' ' LEU . 23.9 mt -48.49 -48.51 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.84 -46.33 78.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 98.7 m -48.08 -60.02 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -53.31 -42.46 66.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -65.07 -21.3 66.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.537 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.2 t80 -86.42 -28.53 23.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -66.83 -35.21 79.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -81.47 21.86 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.506 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 22.3 mt -95.76 108.27 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.58 -24.59 21.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -57.98 132.05 83.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.664 0.745 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -29.38 24.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.602 2.201 . . . . 0.0 112.4 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.422 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -84.88 -40.33 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.506 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -66.43 -50.32 63.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.3 mtp -43.92 -37.51 2.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.24 -57.93 2.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 4.1 mm-40 -51.8 -59.45 4.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -48.76 -43.45 37.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.34 -53.47 22.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.088 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 8.1 ptmt -57.7 -40.34 79.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.46 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 18.2 mt-30 -52.75 -54.58 31.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.4 mt -56.6 -30.38 31.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.612 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -77.32 -43.78 31.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.934 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.9 mt-10 -67.13 -8.55 31.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 19.6 tt0 -106.12 -52.16 2.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.423 ' C ' ' H ' ' A' ' 86' ' ' GLN . 68.3 m-85 -100.35 -54.19 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.556 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.2 mm -79.84 27.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -106.65 154.55 20.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.454 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 51.5 m -58.43 133.2 55.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 38.26 31.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -49.84 161.01 0.57 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.7 . . . . 0.0 111.064 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.9 -28.8 24.15 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.596 2.197 . . . . 0.0 112.311 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -125.18 17.83 8.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -43.07 98.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 29.3 m -54.89 -178.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -95.7 97.47 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.5 pt -146.55 111.68 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.17 163.33 0.23 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -51.57 -38.37 54.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -47.84 -69.68 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.2 m -60.54 -50.51 73.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.47 -49.61 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.96 -47.2 81.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.417 ' HA ' ' HD2' ' A' ' 105' ' ' LYS . 36.6 mm -42.64 -67.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.184 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.565 HG22 ' CE1' ' A' ' 115' ' ' PHE . 90.9 m -39.31 -52.33 2.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 5.1 mtp -44.08 -53.54 6.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.417 ' HD2' ' HA ' ' A' ' 102' ' ' ILE . 11.2 mttt -63.54 -25.45 68.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -85.33 2.78 42.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.585 HD13 ' CD2' ' A' ' 81' ' ' TYR . 35.1 mt -88.97 -4.74 58.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.0 t -77.26 -56.64 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.495 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 7.1 mt-10 -124.69 51.22 4.64 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.8 Cg_endo -69.75 135.15 29.75 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.726 2.284 . . . . 0.0 112.353 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.0 m -132.75 -66.9 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 33.0 mt -134.49 -45.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -91.08 23.11 3.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 p -59.28 -45.97 89.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.565 ' CE1' HG22 ' A' ' 103' ' ' THR . 97.9 m-85 -105.46 34.68 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.94 -57.32 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 2.1 tpp -60.43 -61.99 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.82 -42.28 35.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.047 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 26.9 tt0 -61.04 -56.29 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -63.86 -28.24 69.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.422 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.7 OUTLIER -64.72 -55.27 20.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 10.0 mm -65.28 -41.77 92.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.196 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -57.13 -37.57 72.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.64 -18.89 62.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.409 HD22 ' ND2' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -86.23 -50.06 7.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.456 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 32.8 mtm -65.37 -10.12 30.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.483 ' CB ' ' HB2' ' A' ' 29' ' ' LEU . 5.3 pt-20 -97.53 -24.38 15.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.43 -5.7 14.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 125' ' ' LEU . 10.9 t70 -112.4 -66.66 1.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 133' ' ' ARG . 16.5 m -77.83 -56.87 4.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.59 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 4.3 tp -34.62 -54.09 0.97 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.671 0.748 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 54.3 Cg_endo -69.7 -27.64 26.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.691 2.261 . . . . 0.0 112.388 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 130' ' ' SER . 33.3 mtp180 -88.88 -13.0 40.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.83 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 130' ' ' SER . 22.0 t80 -82.79 -42.93 17.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.448 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 31.4 m -59.89 -33.56 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -63.34 -49.19 74.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 80.6 p -53.5 173.41 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 139' ' ' PHE . 2.2 tt0 -71.76 -39.25 70.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 138' ' ' GLU . 98.5 m-85 -35.91 -40.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.448 ' CB ' ' HA ' ' A' ' 135' ' ' VAL . 54.3 t80 -82.98 -52.88 6.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -45.52 -32.81 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -79.81 -28.3 40.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 140' ' ' TYR . 40.7 mt -68.2 -36.32 79.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 27.0 pt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.903 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.926 0.393 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.417 HD11 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -47.4 -60.06 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -55.82 -13.18 1.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 24' ' ' GLN . 12.6 tt0 -87.69 -59.73 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HB1' ' CG2' ' A' ' 144' ' ' ILE . . . -40.43 -33.68 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mt -71.91 -38.2 69.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 21' ' ' GLU . 17.0 mt-30 -54.43 -23.81 17.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.501 ' CE3' ' CD1' ' A' ' 32' ' ' LEU . 48.2 m0 -71.76 -23.56 61.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -70.97 -43.05 68.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -59.44 -54.71 43.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 m -134.9 137.91 43.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.1 tp -61.31 -42.36 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -39.14 -62.9 0.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.831 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' ASP . 15.0 mmtm -37.72 -44.21 0.7 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.501 ' CD1' ' CE3' ' A' ' 25' ' ' TRP . 29.2 tp -62.37 -62.67 1.59 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.94 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.567 HD13 ' CE3' ' A' ' 58' ' ' TRP . 90.7 mt -49.88 -44.05 49.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -56.86 -44.99 82.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -73.54 118.66 16.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -51.29 -50.76 58.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -56.78 -57.73 11.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.19 -45.09 74.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.414 ' CD1' HD22 ' A' ' 33' ' ' LEU . 37.6 tp -58.04 -63.6 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.347 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.19 -50.67 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 p -64.72 -45.34 86.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.5 ' CD2' HD12 ' A' ' 55' ' ' LEU . 27.1 t80 -52.74 -45.34 66.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -56.17 -62.79 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 t -42.06 -46.24 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 134' ' ' PHE . 43.8 t80 -53.07 -38.14 62.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.432 HD11 ' N ' ' A' ' 46' ' ' LEU . 10.9 mp -70.79 -50.54 34.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -41.33 -45.59 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -64.2 -39.96 95.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -81.69 -12.34 58.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 70.14 30.47 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.2 m -122.97 28.44 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.427 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 11.5 tt0 -66.67 -20.82 66.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.954 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.432 ' CB ' ' HB3' ' A' ' 91' ' ' LYS . 4.0 pt-20 -59.7 -33.06 71.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.479 ' ND2' HD23 ' A' ' 125' ' ' LEU . 2.7 m-20 -57.4 -44.58 84.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.5 HD12 ' CD2' ' A' ' 42' ' ' PHE . 1.1 tt -78.67 -48.25 15.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -40.33 -56.15 2.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 118' ' ' ALA . 24.9 t80 -50.76 -34.49 27.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.567 ' CE3' HD13 ' A' ' 33' ' ' LEU . 67.5 t90 -70.21 -58.78 3.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.409 HG13 ' CD2' ' A' ' 55' ' ' LEU . 36.4 mt -50.52 -47.38 27.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.55 -42.72 97.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.422 ' HB2' ' NE2' ' A' ' 119' ' ' GLN . 38.1 m -54.97 -51.54 65.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -63.78 -34.5 78.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -71.18 -34.68 71.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.798 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.598 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -67.36 -32.17 72.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 -179.786 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -65.84 -25.17 67.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -73.13 0.6 11.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.47 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 59.3 mt -89.44 138.26 19.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.418 ' N ' HG21 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -118.51 -24.56 6.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.818 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -56.67 139.78 75.77 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.705 0.764 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -24.19 30.1 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.698 2.266 . . . . 0.0 112.386 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.59 -54.88 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 3.6 tptm -55.61 -51.84 65.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 11.8 mtp -47.16 -31.18 3.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.832 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.43 -62.72 1.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.21 -58.77 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.818 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -44.72 -45.0 9.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.39 -50.6 59.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.481 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 3.6 pttp -57.84 -40.15 79.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.481 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 30.3 mt-30 -52.12 -55.79 18.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 24.8 mt -56.4 -30.12 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.6 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -75.75 -46.71 29.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.468 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.8 mt-10 -65.55 -8.37 19.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 10.2 tt0 -104.95 -53.35 2.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.436 ' C ' ' H ' ' A' ' 86' ' ' GLN . 72.4 m-85 -100.18 -53.95 3.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.546 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.01 26.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.503 ' HG2' ' CB ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -106.11 154.0 21.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.493 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 44.2 m -62.69 130.69 46.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 87' ' ' THR . 7.9 pt-20 46.01 27.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.503 ' CB ' ' HG2' ' A' ' 86' ' ' GLN . . . -51.88 162.1 0.83 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.584 0.707 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -29.17 24.23 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.396 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 93' ' ' VAL . 9.6 mtpp -124.54 20.19 8.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -41.88 91.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 91' ' ' LYS . 25.6 m -50.84 175.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -92.24 100.19 12.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.4 pt -148.8 113.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -52.52 162.05 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -50.47 -37.38 38.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -49.64 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.6 m -59.71 -50.07 75.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.083 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.69 -49.59 10.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.41 -47.23 84.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.4 mm -42.39 -66.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.543 HG22 ' CE2' ' A' ' 115' ' ' PHE . 99.1 m -40.72 -53.01 2.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.164 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.5 mtp -46.22 -56.59 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.4 mtpp -60.11 -18.82 50.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -92.64 6.53 47.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.545 HD13 ' CD2' ' A' ' 81' ' ' TYR . 37.4 mt -92.04 -1.79 57.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.425 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 15.3 t -79.34 -59.33 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.132 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.523 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 11.1 mt-10 -120.67 49.71 1.67 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.702 0.763 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.75 134.57 28.33 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.65 2.233 . . . . 0.0 112.365 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.2 t -126.55 -72.61 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 70.9 mt -133.45 -40.67 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 t -92.81 21.24 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.816 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 p -57.38 -48.04 80.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.543 ' CE2' HG22 ' A' ' 103' ' ' THR . 91.0 m-85 -101.86 41.93 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -56.14 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 2.2 tpp -59.48 -66.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 57' ' ' PHE . . . -45.91 -40.44 10.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 7.7 tt0 -61.32 -56.59 18.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -62.89 -30.96 71.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.492 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -62.8 -52.37 63.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.826 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 3.9 mm -66.01 -51.51 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.5 ' HA ' ' CE ' ' A' ' 126' ' ' MET . 9.4 t-80 -48.97 -43.34 39.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' ' 128' ' ' LYS . . . -62.37 -22.38 66.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.479 HD23 ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -86.93 -57.36 3.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.5 ' CE ' ' HA ' ' A' ' 123' ' ' HIS . 2.3 ptt? -58.85 -9.79 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.41 ' O ' ' HD3' ' A' ' 132' ' ' PRO . 4.0 pt-20 -96.6 -22.48 17.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 124' ' ' ALA . 23.6 pttt -109.12 -9.47 15.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -111.8 -65.36 1.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.54 ' O ' ' N ' ' A' ' 133' ' ' ARG . 16.7 m -73.47 -60.54 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.543 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 2.5 tp -33.0 -56.63 0.55 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.7 Cg_endo -69.72 -26.84 27.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.65 2.233 . . . . 0.0 112.403 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 130' ' ' SER . 80.8 mtt-85 -87.56 -12.43 45.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.57 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 11.9 t80 -85.2 -39.68 17.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.475 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 36.0 m -59.26 -35.34 57.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -66.51 -36.31 82.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 49.7 p -65.84 142.26 57.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.96 -38.47 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -39.62 -36.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.475 ' CG ' ' HA ' ' A' ' 135' ' ' VAL . 54.5 t80 -86.45 -47.24 9.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -48.85 -34.75 13.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -77.54 -24.59 49.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 48.9 mt -70.96 -32.43 69.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.432 ' CG2' ' HB1' ' A' ' 22' ' ' ALA . 23.9 pt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.896 0.379 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.473 HD13 ' C ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -44.08 -63.09 0.94 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -44.57 -24.18 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 24' ' ' GLN . 7.0 tt0 -82.01 -60.19 2.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.0 -34.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 mt -71.56 -38.95 70.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 21' ' ' GLU . 21.5 mt-30 -56.08 -23.28 32.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.508 ' CD1' ' HA ' ' A' ' 32' ' ' LEU . 48.5 m0 -69.62 -15.59 63.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 15.9 mtp-105 -80.5 -31.64 37.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -62.84 -58.89 5.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 t -135.66 127.13 28.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 tp -51.91 -30.97 26.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -54.27 -52.83 60.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.877 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HE2' ' O ' ' A' ' 24' ' ' GLN . 9.0 mtmm -52.75 -27.58 18.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.508 ' HA ' ' CD1' ' A' ' 25' ' ' TRP . 26.3 tp -78.34 -50.41 11.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.414 HD22 ' CD1' ' A' ' 39' ' ' LEU . 50.8 mt -60.26 -42.52 95.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -54.56 -45.84 73.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -71.94 117.76 13.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -47.54 -54.12 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.446 ' CE2' ' CD2' ' A' ' 143' ' ' LEU . 2.4 t80 -51.77 -60.59 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.93 -50.51 50.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.489 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.414 ' CD1' HD22 ' A' ' 33' ' ' LEU . 24.0 tp -54.16 -62.14 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -40.18 -59.85 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.0 p -59.98 -41.2 91.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.485 ' CD2' HD13 ' A' ' 55' ' ' LEU . 23.6 t80 -55.77 -46.55 77.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 44' ' ' SER . 38.7 mtpt -55.01 -66.19 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' LYS . 11.9 t -38.13 -53.94 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -41.95 -45.74 3.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.817 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' GLU . 89.1 mt -63.28 -56.31 17.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.4 ' HG2' ' CD ' ' A' ' 52' ' ' GLU . 29.4 mtmt -39.6 -40.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.954 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -70.35 -39.24 74.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' LEU . 15.0 mm-40 -85.55 2.61 44.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 63.32 30.38 15.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.402 ' C ' ' HB3' ' A' ' 46' ' ' LEU . 19.8 m -124.91 30.29 5.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.786 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.4 ' CD ' ' HG2' ' A' ' 47' ' ' LYS . 2.8 tt0 -71.76 -22.2 61.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -61.64 -36.23 80.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.469 ' ND2' HD21 ' A' ' 125' ' ' LEU . 2.9 m-20 -52.2 -51.24 59.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.485 HD13 ' CD2' ' A' ' 42' ' ' PHE . 1.2 tt -66.73 -43.48 84.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -45.07 -58.4 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -48.3 -37.98 17.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -66.39 -60.43 2.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.478 ' CD1' HD23 ' A' ' 55' ' ' LEU . 38.2 mt -46.54 -43.73 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.56 92.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 62.1 m -48.4 -56.59 7.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -59.76 -40.3 87.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -66.15 -19.04 65.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.478 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 2.3 t80 -86.44 -34.4 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -60.57 -33.21 72.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -81.6 16.69 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.482 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 35.1 mt -97.85 112.33 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.11 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.78 -34.58 11.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 m -41.62 133.7 2.19 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.626 0.727 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -24.72 29.32 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.675 2.25 . . . . 0.0 112.369 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -94.3 -34.78 12.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.065 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.482 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 2.9 tptt -70.57 -46.66 63.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.3 mtp -49.92 -37.02 29.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.47 -56.51 3.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 17.8 mm-40 -52.99 -52.92 56.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.463 ' HG2' ' CD1' ' A' ' 67' ' ' ILE . 26.8 tptp -53.3 -45.47 68.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.75 -52.2 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -60.95 -35.54 77.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -59.53 -48.82 80.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.403 ' CG1' ' HZ3' ' A' ' 76' ' ' LYS . 52.7 mt -64.61 -32.2 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.072 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.627 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -74.55 -43.33 56.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.5 mm-40 -66.18 -8.6 25.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 16.2 tt0 -106.36 -52.38 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.436 ' C ' ' H ' ' A' ' 86' ' ' GLN . 60.6 m-85 -101.07 -55.14 2.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.58 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.2 mm -78.98 28.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -105.87 151.22 24.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.884 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.485 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 30.7 m -60.45 123.28 16.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 51.99 27.9 4.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -51.08 161.94 0.66 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.529 0.681 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 -31.4 20.57 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.668 2.245 . . . . 0.0 112.3 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -123.57 19.03 9.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.973 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -44.23 99.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.7 m -53.22 179.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -94.3 99.41 11.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.3 pt -145.54 111.31 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -48.63 157.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -47.28 -42.64 21.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -47.72 -63.22 1.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.4 m -65.79 -54.14 31.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.463 ' HE2' ' CG2' ' A' ' 85' ' ' ILE . 0.8 OUTLIER -43.24 -42.38 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.68 -44.49 86.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.3 mm -42.95 -64.2 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.2 m -42.02 -53.71 3.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.1 mtp -48.74 -55.51 11.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -61.25 -12.34 12.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -102.15 7.04 41.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.582 HD12 ' CD2' ' A' ' 81' ' ' TYR . 64.2 mt -91.33 2.64 56.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 p -84.41 -42.76 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.543 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 0.2 OUTLIER -134.84 48.25 2.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.567 0.699 . . . . 0.0 110.86 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.65 126.4 13.34 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -123.05 -67.84 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.9 mt -133.71 -43.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.7 m -87.82 19.61 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.3 m -47.18 -57.93 4.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.411 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 13.1 m-85 -101.96 40.61 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.815 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -64.65 -42.07 95.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 6.5 tpp -76.28 -57.26 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.97 -41.11 64.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.029 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.411 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 40.1 tt0 -61.64 -54.18 46.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.937 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -65.2 -31.1 72.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.509 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -64.14 -57.06 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.5 mm -62.33 -43.81 98.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -56.73 -37.65 71.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.37 -21.58 62.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.469 HD21 ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -83.01 -42.41 17.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 46.2 mtm -71.81 -10.61 60.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.816 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 131' ' ' LEU . 4.4 pt-20 -98.78 -24.75 14.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.45 -4.71 15.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 44.7 t0 -116.17 -65.29 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 134' ' ' PHE . 16.7 m -76.55 -56.83 4.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.58 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 6.8 tp -35.27 -54.58 1.13 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.647 0.737 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 54.0 Cg_endo -69.71 -25.82 28.44 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.62 2.213 . . . . 0.0 112.363 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 130' ' ' SER . 47.7 mtt180 -91.36 -12.5 34.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 130' ' ' SER . 29.3 t80 -85.45 -35.12 21.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.471 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 18.2 m -68.64 -32.36 54.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -67.5 -40.02 85.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.776 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 59.6 p -62.14 176.23 0.61 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 140' ' ' TYR . 1.6 tt0 -72.34 -42.74 65.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 138' ' ' GLU . 95.3 m-85 -35.3 -35.96 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.471 ' CG ' ' HA ' ' A' ' 135' ' ' VAL . 55.2 t80 -86.31 -49.14 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -48.99 -32.82 9.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -77.62 -25.27 49.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.446 ' CD2' ' CE2' ' A' ' 37' ' ' TYR . 41.4 mt -74.46 -37.73 63.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 34.1 pt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.049 179.933 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.418 HD11 ' C ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -48.92 -60.18 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -56.0 -13.89 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 24' ' ' GLN . 8.5 tp10 -89.6 -57.76 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.46 -32.68 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -73.71 -39.81 64.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.962 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' GLU . 14.4 mt-30 -55.2 -21.14 12.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.51 ' CE3' ' CD1' ' A' ' 32' ' ' LEU . 52.8 m0 -71.21 -23.23 61.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 12.6 mtp-105 -73.79 -35.36 64.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -55.64 -57.1 13.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.7 t -135.22 132.58 38.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.5 tp -52.21 -35.98 50.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.6 -60.51 3.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -39.19 -34.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.51 ' CD1' ' CE3' ' A' ' 25' ' ' TRP . 30.9 tp -72.64 -64.87 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.42 HD23 ' CD1' ' A' ' 39' ' ' LEU . 55.2 mt -48.95 -47.47 43.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -50.11 -47.3 54.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -72.83 127.29 32.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -56.77 -50.99 70.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.54 ' CE2' ' CD2' ' A' ' 143' ' ' LEU . 2.4 t80 -53.5 -57.62 10.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.415 ' CA ' ' CH2' ' A' ' 25' ' ' TRP . . . -59.18 -42.11 97.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.42 ' CD1' HD23 ' A' ' 33' ' ' LEU . 31.4 tp -61.43 -61.97 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.07 -49.54 6.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.046 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.8 m -68.31 -44.48 75.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.466 ' CD2' HD13 ' A' ' 55' ' ' LEU . 45.1 t80 -53.45 -40.98 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -62.94 -64.65 0.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.6 t -43.45 -38.03 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.801 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.459 ' CZ ' ' O ' ' A' ' 133' ' ' ARG . 26.2 t80 -58.59 -41.17 85.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.466 ' CD2' ' HA ' ' A' ' 52' ' ' GLU . 7.3 mp -68.32 -49.81 57.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.428 ' HG3' ' CD ' ' A' ' 52' ' ' GLU . 36.0 mtpt -39.81 -40.73 1.01 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.892 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.1 t -67.19 -42.8 83.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 46' ' ' LEU . 5.2 mm-40 -82.04 -3.92 55.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 62.23 30.48 17.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.7 m -122.34 30.25 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.466 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 13.4 tt0 -74.51 -22.5 59.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -53.08 -37.37 61.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.443 ' ND2' HD23 ' A' ' 125' ' ' LEU . 2.0 m-20 -57.65 -39.46 77.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.481 HD22 ' CD1' ' A' ' 59' ' ' ILE . 1.4 tt -73.52 -50.14 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -40.93 -53.32 2.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -50.73 -37.93 44.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 55.7 t90 -67.31 -60.09 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.481 ' CD1' HD22 ' A' ' 55' ' ' LEU . 22.9 mt -47.28 -45.33 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.81 -44.65 95.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.064 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 63.3 m -47.76 -56.88 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.816 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -56.8 -47.23 80.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.81 -21.36 60.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.512 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.5 t80 -83.77 -32.85 25.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.967 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -67.06 -34.92 78.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.8 24.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.492 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 34.3 mt -91.05 98.01 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 22.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -109.06 130.05 23.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.665 0.745 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -14.49 36.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.732 2.288 . . . . 0.0 112.328 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.0 -48.61 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.042 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.492 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -60.67 -42.4 97.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.453 ' HG3' ' CG2' ' A' ' 67' ' ' ILE . 5.1 mtp -49.4 -39.8 33.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.33 -57.84 2.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -49.85 -59.58 3.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 79' ' ' GLN . 27.7 tptt -47.58 -49.78 25.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -39.72 -50.47 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.96 -35.76 81.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 76' ' ' LYS . 49.8 mt-30 -57.93 -54.34 48.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.3 mt -58.62 -28.91 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.604 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -77.24 -46.63 22.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 14.7 mm-40 -65.94 -8.39 22.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 12.8 tt0 -104.83 -52.69 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.432 ' C ' ' H ' ' A' ' 86' ' ' GLN . 73.5 m-85 -100.84 -53.44 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.537 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.29 26.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -105.51 149.24 26.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.443 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 81.4 m -57.07 129.84 43.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 46.09 32.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -53.38 159.9 2.04 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.646 0.736 . . . . 0.0 111.08 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -31.56 20.03 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -123.39 17.37 9.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -42.19 101.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.4 m -58.93 177.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -91.44 100.6 13.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.51 112.91 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.55 164.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -52.05 -35.61 47.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -51.61 -70.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 29.3 m -59.15 -49.36 78.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.47 -51.92 14.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -56.96 -47.63 80.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.3 mm -42.82 -65.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.489 HG21 ' CE2' ' A' ' 115' ' ' PHE . 47.2 m -40.79 -55.16 2.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mtp -44.53 -56.84 3.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.864 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -59.99 -21.02 60.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -91.11 5.0 50.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.565 HD11 ' CD2' ' A' ' 81' ' ' TYR . 61.5 mt -90.49 -2.64 57.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.0 t -76.88 -57.99 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 1.7 pt-20 -124.93 51.02 4.6 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.623 0.725 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 52.8 Cg_endo -69.78 128.3 15.81 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.703 2.268 . . . . 0.0 112.321 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.8 m -123.51 -65.87 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.1 mt -134.73 -45.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 91.4 p -88.03 21.64 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.427 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 6.4 p -55.73 -44.04 77.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.489 ' CE2' HG21 ' A' ' 103' ' ' THR . 96.3 m-85 -111.31 37.07 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.04 -41.58 95.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 4.1 tpp -77.23 -58.29 3.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.04 -41.02 33.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -63.01 -57.81 9.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.7 pttp -60.4 -31.35 70.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.433 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -63.43 -53.44 52.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.1 mm -68.22 -49.56 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -50.19 -40.11 46.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' ' 128' ' ' LYS . . . -69.46 -27.43 65.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.043 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -80.45 -30.14 37.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 64.7 mtm -80.81 -9.24 59.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.424 ' O ' ' HD3' ' A' ' 132' ' ' PRO . 2.8 pt-20 -97.91 -24.6 15.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 124' ' ' ALA . 3.0 pttp -110.93 -6.94 14.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 7.0 t70 -112.38 -65.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 133' ' ' ARG . 16.1 m -76.91 -58.34 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.576 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 3.9 tp -34.06 -54.65 0.83 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.626 0.726 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.6 Cg_endo -69.78 -27.98 25.69 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.762 2.308 . . . . 0.0 112.31 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 130' ' ' SER . 71.4 mtt-85 -86.92 -13.55 44.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.467 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.4 t80 -84.34 -51.35 7.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.453 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 34.4 m -53.26 -25.6 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -70.59 -45.01 66.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 23.6 p -61.94 141.22 58.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.77 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 138' ' ' GLU . 0.2 OUTLIER -42.96 -36.94 1.71 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.91 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 138' ' ' GLU . 88.4 m-85 -37.28 -38.95 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.453 ' CB ' ' HA ' ' A' ' 135' ' ' VAL . 70.8 t80 -85.11 -48.23 9.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -50.27 -31.92 15.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -77.23 -28.4 53.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.54 ' CD2' ' CE2' ' A' ' 37' ' ' TYR . 23.6 mt -66.76 -34.29 77.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 29.4 pt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.43 -52.27 47.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -60.8 -17.47 49.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 24' ' ' GLN . 9.3 tt0 -85.09 -58.35 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.53 -35.55 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.092 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mt -70.56 -37.35 73.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' GLU . 30.8 mt-30 -56.37 -23.46 37.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.456 ' CD2' HD12 ' A' ' 32' ' ' LEU . 48.2 m0 -70.62 -16.57 62.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 11.4 mtp-105 -78.83 -37.72 39.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -54.12 -58.3 7.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.0 m -135.47 132.14 37.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.8 tp -49.43 -42.11 41.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -45.84 -62.98 1.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.792 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.42 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 4.2 mtpm? -36.25 -35.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.456 HD12 ' CD2' ' A' ' 25' ' ' TRP . 27.7 tp -74.16 -60.72 2.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.441 HD21 ' CD1' ' A' ' 39' ' ' LEU . 65.6 mt -51.22 -46.59 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -52.8 -45.88 67.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -71.76 125.38 27.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -55.79 -48.13 75.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -58.69 -57.94 10.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.87 -39.35 91.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.499 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.441 ' CD1' HD21 ' A' ' 33' ' ' LEU . 28.2 tp -64.14 -63.37 1.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 110.952 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.27 -51.92 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.2 m -67.14 -44.51 79.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.523 ' CD2' HD11 ' A' ' 55' ' ' LEU . 30.6 t80 -52.4 -46.83 66.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -54.23 -64.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.3 t -39.46 -52.66 2.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.542 ' CD2' HD11 ' A' ' 46' ' ' LEU . 10.7 t80 -44.03 -40.2 4.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.542 HD11 ' CD2' ' A' ' 45' ' ' PHE . 10.1 mp -75.23 -50.96 14.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -40.62 -41.83 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.0 t -69.33 -39.65 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 46' ' ' LEU . 5.0 mm-40 -79.44 -9.19 59.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 68.86 31.53 4.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.9 m -127.54 31.36 5.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.785 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -74.06 -23.55 59.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.486 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 8.6 pm0 -52.58 -35.65 54.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.486 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 12.9 m-20 -57.04 -41.62 78.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.523 HD11 ' CD2' ' A' ' 42' ' ' PHE . 1.1 tt -72.9 -44.01 61.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -45.99 -53.3 10.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.461 ' CZ ' HD11 ' A' ' 85' ' ' ILE . 23.1 t80 -52.0 -32.29 33.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.436 ' CD1' ' NE2' ' A' ' 119' ' ' GLN . 33.3 t90 -73.62 -61.33 1.87 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.416 ' CD1' HD22 ' A' ' 55' ' ' LEU . 31.9 mt -48.37 -45.63 13.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.05 -52.2 66.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.059 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 57' ' ' PHE . 57.2 m -44.9 -61.1 1.74 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -51.88 -43.1 63.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -64.14 -22.95 67.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.814 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.586 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -83.88 -21.67 31.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.81 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -66.88 -34.59 78.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -82.8 25.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.491 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 29.1 mt -102.17 108.46 23.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.03 -32.69 13.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 m -45.39 133.24 5.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.657 0.742 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -21.9 32.74 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.665 2.244 . . . . 0.0 112.352 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.501 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -95.23 -35.94 11.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.491 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -70.83 -46.94 61.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.43 ' N ' HG21 ' A' ' 67' ' ' ILE . 8.9 mtp -48.28 -38.28 18.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.7 -54.82 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.111 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 12.3 mm-40 -52.98 -55.94 19.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -54.33 -42.66 70.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.78 -50.28 45.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.56 -35.88 81.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -56.45 -49.68 73.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.2 mt -63.58 -30.81 50.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.638 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -76.45 -38.91 54.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.452 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 16.3 mm-40 -72.59 -11.04 60.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 17.9 tt0 -106.11 -39.91 5.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.45 ' C ' ' H ' ' A' ' 86' ' ' GLN . 79.2 m-85 -110.94 -57.73 2.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.56 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.3 mm -77.88 28.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -108.27 153.41 23.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.974 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.5 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 23.4 m -60.11 132.06 52.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.11 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 44.2 27.47 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.444 ' HB2' ' HD2' ' A' ' 90' ' ' PRO . . . -48.32 157.14 0.71 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.465 0.65 . . . . 0.0 111.164 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 53.0 Cg_endo -69.75 -26.14 27.91 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.743 2.295 . . . . 0.0 112.305 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -124.36 17.19 9.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -38.95 127.16 1.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.1 m -89.79 173.05 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -85.89 98.52 10.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.7 pt -150.43 111.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -52.35 161.38 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -50.03 -36.28 28.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -50.94 -66.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 51.3 m -64.09 -48.53 75.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.09 -48.55 22.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.936 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -57.83 -45.59 85.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 31.0 mm -43.01 -66.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 97.0 m -40.25 -55.27 2.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.5 mtp -44.56 -57.89 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -59.54 -21.41 60.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -90.56 5.89 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.586 HD13 ' CD2' ' A' ' 81' ' ' TYR . 42.1 mt -91.58 -2.14 57.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.4 t -77.98 -58.32 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.513 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 7.1 mt-10 -123.26 50.45 3.1 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.671 0.748 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.9 Cg_endo -69.75 139.67 40.84 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.72 2.28 . . . . 0.0 112.371 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.0 m -133.67 -69.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.4 mt -133.02 -44.99 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.7 p -86.28 18.75 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.0 m -48.49 -53.67 17.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -102.61 40.12 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.51 -40.26 92.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 8.0 tpp -78.37 -59.04 2.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.05 -39.57 42.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.064 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.436 ' NE2' ' CD1' ' A' ' 58' ' ' TRP . 7.2 tp60 -62.83 -56.82 14.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -63.0 -29.78 71.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.481 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -64.3 -56.15 16.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 11.4 mm -65.62 -41.78 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -55.8 -38.31 69.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.97 -19.38 63.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.469 HD23 ' ND2' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -86.22 -53.68 4.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.455 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 29.9 mtm -61.03 -10.41 5.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.814 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.454 ' HA ' ' CB ' ' A' ' 131' ' ' LEU . 4.8 pt-20 -97.67 -23.9 15.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.413 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -111.86 -4.66 14.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.6 t0 -114.07 -65.75 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 133' ' ' ARG . 8.8 p -78.72 -55.55 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.601 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.6 tp -36.72 -53.23 1.86 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.615 0.721 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.8 Cg_endo -69.68 -25.34 29.06 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.39 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 130' ' ' SER . 14.1 mmt180 -91.29 -13.26 32.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.472 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 23.1 t80 -84.1 -41.55 17.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.499 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 29.3 m -60.52 -37.68 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -64.74 -46.68 81.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 17.4 p -58.27 139.29 55.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 139' ' ' PHE . 3.6 mt-10 -42.19 -38.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 138' ' ' GLU . 95.7 m-85 -37.01 -36.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.499 ' CG ' ' HA ' ' A' ' 135' ' ' VAL . 48.4 t80 -90.39 -42.87 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -51.76 -33.08 33.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -75.58 -23.86 56.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 38.3 mt -71.85 -35.36 69.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 25.6 pt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.854 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.904 0.383 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.439 HD11 ' C ' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -51.89 -63.0 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -52.66 -16.14 0.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 24' ' ' GLN . 3.1 tp10 -85.89 -57.15 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.33 -33.88 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -72.58 -39.82 67.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 21' ' ' GLU . 17.0 mt-30 -56.13 -19.44 13.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.53 ' CD2' HD12 ' A' ' 32' ' ' LEU . 49.6 m0 -73.03 -21.16 60.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -78.92 -34.33 44.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.82 -56.02 27.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 t -134.83 127.22 30.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.453 HD23 ' CE1' ' A' ' 123' ' ' HIS . 6.3 tp -51.98 -34.43 42.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -56.81 -42.83 80.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -57.6 -27.97 63.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.53 HD12 ' CD2' ' A' ' 25' ' ' TRP . 24.0 tp -80.1 -53.23 6.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.423 HD22 ' CD1' ' A' ' 39' ' ' LEU . 22.9 mt -56.76 -52.53 64.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 3.6 pt20 -45.8 -28.28 1.03 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.474 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 5.2 m120 -91.24 127.91 36.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -45.85 92.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -59.49 -58.81 6.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.41 -37.95 89.31 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.423 ' CD1' HD22 ' A' ' 33' ' ' LEU . 49.6 tp -62.37 -64.75 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -37.74 -57.75 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.3 t -59.35 -42.94 92.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.811 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.47 ' CD2' HD13 ' A' ' 55' ' ' LEU . 13.3 t80 -52.99 -38.59 62.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt -69.78 -63.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.9 t -44.08 -37.96 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CE2' ' OE2' ' A' ' 49' ' ' GLU . 23.7 t80 -61.65 -47.83 83.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 34.3 mt -55.54 -39.71 70.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -53.49 -36.34 61.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m -68.42 -38.63 81.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.591 ' OE2' ' CE2' ' A' ' 45' ' ' PHE . 2.5 pt-20 -90.5 -5.92 55.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 68.02 25.7 7.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -111.16 25.64 11.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -72.04 -14.56 61.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -68.5 -29.12 67.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.489 ' ND2' HD22 ' A' ' 125' ' ' LEU . 6.7 m-20 -65.82 -47.82 73.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -65.51 -49.42 69.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -38.89 -59.13 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -44.76 -37.87 4.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 48.1 t90 -68.83 -67.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 33.7 mt -39.53 -47.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.01 -50.8 72.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 55.7 m -43.52 -53.57 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.75 -46.42 87.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -61.03 -20.88 63.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.586 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -86.38 -30.69 21.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.86 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -67.29 -30.4 70.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -82.75 19.45 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 43.2 mt -93.74 105.82 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -84.0 -25.13 30.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.41 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 2.1 m -62.52 139.26 96.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -46.02 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.76 -60.6 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.471 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -44.39 -57.33 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.46 ' HG3' ' CG2' ' A' ' 67' ' ' ILE . 12.9 mtp -39.53 -36.01 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.8 -61.44 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -50.45 -56.68 10.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -50.68 -44.5 57.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.53 -50.43 31.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.053 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.478 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 4.7 pttp -60.35 -38.84 85.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.478 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 12.8 mt-30 -53.27 -54.81 30.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.2 mt -57.5 -25.88 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.606 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -80.25 -45.38 18.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.455 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 11.0 mt-10 -66.71 -8.26 26.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 12.8 tt0 -104.98 -52.88 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.439 ' C ' ' H ' ' A' ' 86' ' ' GLN . 67.1 m-85 -100.51 -53.62 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.541 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -78.9 25.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.484 ' HG3' ' N ' ' A' ' 87' ' ' THR . 0.0 OUTLIER -105.53 153.8 21.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.484 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 22.9 m -58.24 135.49 57.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 38.53 31.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -51.62 160.74 0.97 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.672 0.749 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -32.94 17.48 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -121.37 13.32 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -39.51 99.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.439 ' CG2' HD12 ' A' ' 95' ' ' ILE . 27.3 m -57.81 -179.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -95.49 100.02 11.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.439 HD12 ' CG2' ' A' ' 93' ' ' VAL . 0.9 OUTLIER -144.28 114.25 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -51.79 161.5 0.53 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -50.29 -38.24 40.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.805 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -49.76 -68.74 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 71.4 m -60.12 -51.34 70.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.77 -50.58 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.33 -49.26 77.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 22.2 mm -41.84 -62.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.532 HG22 ' CE1' ' A' ' 115' ' ' PHE . 95.1 m -43.44 -52.35 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.0 mtp -48.16 -55.28 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -61.36 -20.28 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -91.55 6.65 44.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.547 HD11 ' CD2' ' A' ' 81' ' ' TYR . 36.9 mt -92.76 -2.68 55.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.1 t -77.78 -58.31 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 4.4 mm-40 -123.26 50.94 3.38 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.735 0.779 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.1 Cg_endo -69.71 136.62 33.59 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.3 t -130.81 -67.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.3 mt -134.13 -44.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.6 p -87.83 20.43 3.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.2 p -57.42 -36.88 71.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.532 ' CE1' HG22 ' A' ' 103' ' ' THR . 96.5 m-85 -116.42 37.55 3.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -69.64 -44.14 71.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 4.3 tpp -72.8 -58.71 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.73 -45.31 58.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -58.07 -57.18 13.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -27.84 69.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.41 ' HD2' ' C ' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -65.31 -53.35 45.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 10.6 mm -68.2 -47.67 77.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.49 ' HA ' ' CG ' ' A' ' 126' ' ' MET . 7.7 t-80 -53.22 -36.0 60.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' ' 128' ' ' LYS . . . -71.54 -21.99 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.055 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.489 HD22 ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -87.5 -45.5 10.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.49 ' CG ' ' HA ' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -66.1 -9.57 32.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.834 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.506 ' O ' ' CD2' ' A' ' 131' ' ' LEU . 3.4 pt-20 -95.78 -22.06 17.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 124' ' ' ALA . 7.0 pttp -111.36 -9.96 14.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -106.85 -66.85 0.98 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 133' ' ' ARG . 98.7 p -79.04 -57.76 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.568 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 3.3 tp -30.82 -55.33 0.39 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.627 0.727 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.6 Cg_endo -69.66 -33.95 15.92 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.417 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 130' ' ' SER . 38.7 mtp85 -80.29 -13.17 59.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.558 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 21.9 t80 -86.84 -32.43 20.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 136' ' ' ARG . 35.0 m -70.62 -29.4 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.463 ' N ' HG23 ' A' ' 135' ' ' VAL . 19.0 mtt85 -69.21 -41.75 76.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 86.7 p -61.25 165.25 4.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 139' ' ' PHE . 2.2 tt0 -62.53 -40.05 95.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 138' ' ' GLU . 97.5 m-85 -35.74 -41.32 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.441 ' CB ' ' HA ' ' A' ' 135' ' ' VAL . 63.7 t80 -84.71 -50.35 7.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -46.3 -33.73 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 2.7 pt-20 -76.56 -32.03 57.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.45 ' N ' ' HG3' ' A' ' 142' ' ' GLU . 33.9 mt -61.96 -34.42 76.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 31.9 pt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.13 179.821 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.413 -0.275 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 m -144.72 113.64 6.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.928 0.394 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -62.74 129.25 39.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.05 152.52 20.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.432 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 t -138.11 128.32 25.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.833 0.349 . . . . 0.0 110.842 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.5 p -79.96 177.21 9.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.5 161.54 31.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -178.9 2.58 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.342 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -139.37 -179.19 5.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.407 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -113.88 145.83 34.33 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.576 0.703 . . . . 0.0 110.869 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.84 -174.19 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.305 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.4 -178.98 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 tttp -123.78 171.69 9.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -174.77 173.4 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -46.78 170.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -131.64 -69.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.571 HG22 ' CZ2' ' A' ' 25' ' ' TRP . 1.3 m -158.07 142.41 16.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.99 162.85 13.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -57.51 11.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -54.9 -13.87 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 24' ' ' GLN . 6.0 tp10 -91.46 -58.28 2.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.17 -33.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.201 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mt -72.64 -37.19 68.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' GLU . 34.7 mt-30 -54.43 -22.62 13.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.571 ' CZ2' HG22 ' A' ' 17' ' ' THR . 51.9 m0 -72.57 -23.56 60.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -69.32 -42.48 75.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.62 -59.09 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 m -130.13 132.6 46.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.462 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 7.1 tp -57.7 -42.14 83.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -39.39 -60.86 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -39.03 -41.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.524 ' CD1' ' CE3' ' A' ' 25' ' ' TRP . 28.2 tp -64.27 -66.32 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.486 HD13 ' CE2' ' A' ' 58' ' ' TRP . 70.3 mt -47.47 -47.65 27.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.984 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -52.92 -44.85 67.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -71.58 123.29 22.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -55.3 -45.04 76.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.74 -58.36 8.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.7 -40.48 88.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.01 -62.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.0 -50.64 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.081 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -67.16 -45.1 78.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.446 ' CG ' HD22 ' A' ' 32' ' ' LEU . 21.3 t80 -51.96 -45.82 64.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -54.59 -64.46 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.9 t -41.29 -49.2 3.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -47.41 -49.98 23.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 89.8 mt -62.59 -53.3 56.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -39.96 -38.89 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.8 t -74.35 -39.02 63.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.548 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 23.3 mm-40 -86.62 18.72 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 35.5 p90 45.75 28.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.74 25.65 10.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.99 -19.21 63.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.0 pm0 -66.0 -25.68 67.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.478 ' ND2' HD23 ' A' ' 125' ' ' LEU . 21.2 m-20 -64.47 -47.27 79.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.483 ' HB2' ' CD1' ' A' ' 46' ' ' LEU . 1.2 tt -69.74 -43.66 71.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -44.18 -59.17 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -48.26 -34.04 9.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.486 ' CE2' HD13 ' A' ' 33' ' ' LEU . 55.2 t90 -70.03 -60.27 2.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.481 ' CD1' HD21 ' A' ' 55' ' ' LEU . 27.6 mt -48.58 -48.6 14.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.87 -47.86 79.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 58.8 m -46.83 -56.66 5.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -56.91 -44.15 82.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.95 -17.03 61.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.582 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -90.95 -32.18 16.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -62.54 -34.05 76.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -82.58 21.77 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.494 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 33.2 mt -98.69 111.27 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 69' ' ' SER . 2.5 pptp? -91.33 -34.69 14.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.439 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 3.3 m -45.43 131.8 6.12 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.621 0.724 . . . . 0.0 110.845 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -23.75 30.29 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -89.94 -44.5 9.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.494 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 2.4 tptm -62.79 -50.31 71.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 10.0 mtp -44.26 -37.79 3.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.62 -60.67 1.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -49.05 -57.16 7.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -49.77 -43.58 48.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.38 -50.79 38.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.028 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -60.76 -33.93 73.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -58.74 -53.96 52.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.4 mt -58.11 -33.16 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.605 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -73.72 -46.22 47.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.471 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 5.0 mm-40 -66.4 -8.34 25.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 10.3 tt0 -103.83 -51.59 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.471 ' C ' ' H ' ' A' ' 86' ' ' GLN . 70.8 m-85 -103.21 -54.5 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.534 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -77.01 25.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.179 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.471 ' HB2' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -105.21 147.6 27.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.418 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 21.8 m -53.65 127.24 24.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 44.72 33.64 1.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -51.87 162.78 0.73 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.623 0.725 . . . . 0.0 111.078 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -33.11 17.42 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.676 2.25 . . . . 0.0 112.338 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 92' ' ' GLU . 11.1 mtpp -121.55 14.79 11.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 91' ' ' LYS . 37.7 tt0 -36.38 105.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.8 m -63.58 177.53 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -91.61 96.58 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.3 pt -144.68 112.77 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -51.44 164.08 0.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -53.11 -34.38 56.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -52.15 -70.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 48.3 m -59.26 -48.06 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.188 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.13 -51.64 17.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -55.67 -46.95 77.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.6 mm -43.51 -66.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.562 HG21 ' CE2' ' A' ' 115' ' ' PHE . 70.2 m -39.9 -53.16 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mtp -46.71 -56.46 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -60.88 -19.13 59.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -92.66 6.06 48.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.587 HD12 ' CD2' ' A' ' 81' ' ' TYR . 37.1 mt -92.18 -2.45 56.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.7 t -78.0 -58.39 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.506 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 8.3 mt-10 -122.78 50.38 2.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.604 0.716 . . . . 0.0 110.775 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.4 Cg_endo -69.66 137.81 36.64 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.704 2.269 . . . . 0.0 112.383 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.9 m -131.93 -68.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.0 mt -133.4 -45.22 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 72.8 m -90.11 22.19 3.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.6 p -55.22 -42.15 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.562 ' CE2' HG21 ' A' ' 103' ' ' THR . 95.6 m-85 -108.87 38.28 2.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -63.13 -50.87 68.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 5.4 tpp -67.85 -58.74 4.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -46.99 -43.46 19.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.01 -57.71 10.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -61.33 -27.19 68.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.422 ' HD2' ' C ' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -66.66 -56.59 9.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.808 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 12.0 mm -65.99 -42.63 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -55.94 -37.11 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.72 -22.08 61.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.478 HD23 ' ND2' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -83.38 -42.8 16.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.443 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 41.0 mtm -71.79 -11.14 60.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.462 ' CB ' ' HB2' ' A' ' 29' ' ' LEU . 4.8 pt-20 -98.58 -24.67 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.823 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.42 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -110.96 -4.27 15.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 13.0 t70 -116.11 -65.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 134' ' ' PHE . 4.3 m -76.11 -55.23 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.59 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 4.4 tp -38.17 -54.29 2.67 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.61 0.719 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.9 Cg_endo -69.7 -21.98 33.0 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.375 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 130' ' ' SER . 74.4 mtt180 -94.43 -13.28 26.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 130' ' ' SER . 26.3 t80 -85.6 -37.57 19.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.518 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 24.5 m -63.53 -37.29 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -66.99 -31.36 71.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.5 p -68.32 165.63 18.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 139' ' ' PHE . 0.8 OUTLIER -62.82 -49.01 76.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.466 ' C ' ' O ' ' A' ' 138' ' ' GLU . 65.1 m-85 -32.5 -37.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.518 ' CG ' ' HA ' ' A' ' 135' ' ' VAL . 54.2 t80 -82.16 -49.95 9.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 138' ' ' GLU . 67.2 mm-40 -47.54 -32.79 5.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -79.03 -26.05 43.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 140' ' ' TYR . 25.0 mt -74.38 -32.95 62.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.467 HG13 ' N ' ' A' ' 145' ' ' SER . 30.2 pt -104.2 -43.45 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.467 ' N ' HG13 ' A' ' 144' ' ' ILE . 1.4 m -104.63 37.55 2.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.403 ' HA3' ' HD2' ' A' ' 147' ' ' PRO . . . -77.25 -144.51 1.93 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.543 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.403 ' HD2' ' HA3' ' A' ' 146' ' ' GLY . 53.8 Cg_endo -69.88 1.11 4.81 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.658 2.238 . . . . 0.0 112.32 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 8.9 t -113.9 172.88 6.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.804 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 29.4 t -91.94 161.34 14.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.552 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -160.03 134.64 7.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 110.835 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.9 p -154.38 172.59 17.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.838 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.8 170.66 38.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.508 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.0 p -172.93 173.67 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.3 p -163.94 178.05 8.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.01 141.79 8.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -173.24 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.626 2.217 . . . . 0.0 112.408 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -175.0 128.67 0.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 36.3 tttt -107.18 141.42 22.88 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.542 0.687 . . . . 0.0 110.948 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.451 ' HD2' ' CG ' ' A' ' 10' ' ' LYS . 53.3 Cg_endo -69.77 -166.39 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.34 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.21 179.36 6.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.64 132.69 45.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.3 p -92.07 -179.02 5.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.199 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.498 ' O ' ' C ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -133.29 -174.2 3.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 15' ' ' GLN . 25.9 mtmt -30.29 143.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.558 HG21 ' CZ2' ' A' ' 25' ' ' TRP . 92.3 m -92.53 128.72 38.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 m -82.05 153.31 26.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.413 HD22 ' CB ' ' A' ' 144' ' ' ILE . 0.4 OUTLIER -52.23 -58.83 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.942 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -51.77 -16.68 0.72 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.829 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' GLN . 9.3 tt0 -88.73 -58.11 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.548 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -42.31 -31.68 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.026 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mt -73.47 -36.8 65.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' GLU . 45.7 mt-30 -55.7 -23.07 26.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.558 ' CZ2' HG21 ' A' ' 17' ' ' THR . 33.9 m0 -70.81 -19.47 62.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -78.44 -45.78 21.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -53.12 -57.07 11.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -131.45 136.05 47.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.486 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 19.9 tp -55.56 -47.46 76.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 31' ' ' LYS . 14.0 t0 -40.05 -62.36 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.407 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -38.24 -33.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.464 ' HA ' ' CD1' ' A' ' 25' ' ' TRP . 28.6 tp -76.24 -61.95 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.442 HD21 ' CD1' ' A' ' 39' ' ' LEU . 78.1 mt -50.62 -51.75 45.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -50.16 -45.29 53.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -70.69 123.71 22.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -56.8 -46.38 81.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -59.86 -55.15 37.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.93 -41.7 97.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.442 ' CD1' HD21 ' A' ' 33' ' ' LEU . 31.6 tp -60.71 -62.99 1.46 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.833 0.349 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.0 -55.21 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.8 p -61.26 -46.11 91.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.793 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -50.99 -39.14 54.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -61.35 -62.77 1.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 t -41.34 -43.72 2.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -55.53 -48.6 74.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 93.7 mt -64.88 -57.28 9.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -43.18 -48.46 6.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -66.27 -38.54 88.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -84.1 -1.68 55.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' LEU . 35.9 m-85 65.39 35.74 7.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.421 ' C ' ' HB3' ' A' ' 46' ' ' LEU . 38.4 m -128.72 33.11 4.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -76.23 -25.08 54.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 pm0 -54.59 -31.59 57.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.47 ' ND2' HD23 ' A' ' 125' ' ' LEU . 2.8 m-20 -62.92 -48.47 78.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 46' ' ' LEU . 1.1 tt -71.21 -45.97 62.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -43.26 -55.91 3.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -50.44 -32.99 19.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -73.22 -59.96 2.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.422 HG13 ' CD2' ' A' ' 55' ' ' LEU . 36.6 mt -48.84 -47.74 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.066 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.35 -52.48 63.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.104 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.6 m -45.14 -64.11 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -47.61 -43.6 25.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -63.94 -24.53 67.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.59 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -83.18 -19.36 36.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.767 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -70.92 -32.79 69.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -81.48 18.46 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.461 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 21.4 mt -94.92 105.0 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -89.29 -34.84 16.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.451 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 1.8 m -47.29 136.35 9.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.651 0.739 . . . . 0.0 110.837 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -24.68 29.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.28 -58.37 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.057 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.461 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -49.11 -50.56 36.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.458 ' N ' HG23 ' A' ' 67' ' ' ILE . 8.8 mtp -45.09 -37.59 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.51 -59.33 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -51.46 -59.66 4.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.421 ' HB2' ' NZ ' ' A' ' 72' ' ' LYS . 20.3 tptm -45.79 -47.17 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.0 -48.28 32.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -60.84 -30.39 70.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -63.96 -55.93 18.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 36.3 mt -57.29 -30.31 35.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.185 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.591 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -78.12 -47.3 18.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.914 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.458 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 5.0 mm-40 -65.59 -7.92 17.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 21.4 tt0 -104.1 -53.58 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.463 ' C ' ' H ' ' A' ' 86' ' ' GLN . 65.8 m-85 -101.15 -53.68 2.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.532 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -77.58 24.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.486 ' HG3' ' N ' ' A' ' 87' ' ' THR . 0.0 OUTLIER -105.45 151.81 23.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.486 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 43.9 m -54.77 133.18 47.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 87' ' ' THR . 23.4 pt-20 35.15 34.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -50.83 165.7 0.35 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.582 0.706 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.404 ' HD2' ' CB ' ' A' ' 89' ' ' ALA . 53.8 Cg_endo -69.75 -33.94 15.62 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -121.81 17.58 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -39.84 100.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.2 m -58.66 -178.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -96.36 96.88 9.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.3 pt -143.91 113.15 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -51.44 165.59 0.15 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.791 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -54.6 -35.65 63.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -51.03 -68.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.0 m -61.44 -48.38 81.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.76 -51.6 15.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -56.25 -46.57 79.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.813 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 17.0 mm -44.03 -65.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.2 m -39.99 -51.32 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.4 mtp -49.29 -55.54 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -61.32 -19.2 61.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.97 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -92.99 4.73 53.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.584 HD12 ' CD2' ' A' ' 81' ' ' TYR . 57.3 mt -91.03 -0.69 57.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.408 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 13.9 t -80.22 -58.01 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.527 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 9.9 mt-10 -121.87 48.96 1.8 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.677 0.751 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.3 Cg_endo -69.78 139.65 40.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.386 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.1 t -132.76 -71.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.7 mt -131.35 -44.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.4 m -92.11 24.97 3.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.45 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 2.5 p -59.49 -40.17 86.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -108.62 38.23 2.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -66.3 -56.3 11.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 5.7 tpp -59.75 -60.77 3.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.22 -35.21 25.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -69.43 -51.66 34.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -66.41 -29.25 69.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -60.09 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 8.3 mm -58.73 -40.03 78.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.447 ' CD2' HD21 ' A' ' 29' ' ' LEU . 5.1 t-80 -57.08 -37.28 71.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.23 -20.35 62.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.47 HD23 ' ND2' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -86.0 -43.32 13.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.456 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 47.9 mtm -69.94 -10.33 58.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.486 ' CB ' ' HB2' ' A' ' 29' ' ' LEU . 6.1 pt-20 -98.01 -24.7 15.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.31 -5.17 14.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -113.17 -66.63 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 133' ' ' ARG . 33.0 m -78.04 -55.93 4.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.583 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 4.0 tp -34.66 -54.43 0.97 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.648 0.737 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.3 Cg_endo -69.75 -26.84 27.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.739 2.293 . . . . 0.0 112.307 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 130' ' ' SER . 61.9 mtm180 -88.51 -13.65 39.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.788 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 130' ' ' SER . 15.2 t80 -84.32 -39.1 19.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.456 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 28.2 m -67.84 -23.03 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.093 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -71.69 -41.29 68.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 97.9 p -65.24 175.9 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -74.75 -34.88 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -40.86 -32.69 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.456 ' CB ' ' HA ' ' A' ' 135' ' ' VAL . 59.1 t80 -91.26 -49.59 6.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.96 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 145' ' ' SER . 86.4 mm-40 -48.88 -30.79 6.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -78.29 -26.27 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 34.3 mt -68.46 -33.75 74.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 145' ' ' SER . 24.2 pt -101.01 -42.95 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 14.1 t -66.69 -34.9 78.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -49.47 178.64 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.493 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 149' ' ' SER . 53.6 Cg_endo -69.7 -0.48 6.93 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.747 2.298 . . . . 0.0 112.365 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 78.5 p -38.86 -30.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.813 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 147' ' ' PRO . 19.4 p -146.96 172.82 13.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.431 -179.91 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -110.57 121.55 45.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 110.882 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -96.74 132.25 42.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.75 97.97 0.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.549 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.4 m -101.49 -44.08 5.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.918 0.389 . . . . 0.0 110.844 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -86.46 154.5 21.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' A' ' 9' ' ' GLU . . . -159.56 60.54 0.31 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 18.09 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.339 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.495 ' H ' ' C ' ' A' ' 7' ' ' GLY . 8.7 pt-20 -78.37 47.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -100.16 140.91 21.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 159.95 51.48 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.739 2.292 . . . . 0.0 112.347 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.71 114.08 11.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -166.64 166.87 15.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 t -98.93 136.45 38.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -171.22 178.11 3.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -83.58 174.89 10.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.559 HG23 ' CH2' ' A' ' 25' ' ' TRP . 95.6 m -116.55 144.32 44.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -100.96 153.57 19.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.415 HD11 ' C ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -51.41 -62.55 1.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -51.94 -16.61 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 24' ' ' GLN . 10.1 tt0 -85.98 -58.1 2.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.423 ' HB3' ' CG2' ' A' ' 144' ' ' ILE . . . -40.72 -33.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mt -73.16 -37.37 66.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 21' ' ' GLU . 18.1 mt-30 -56.17 -21.84 25.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.559 ' CH2' HG23 ' A' ' 17' ' ' THR . 51.8 m0 -71.96 -20.72 61.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -74.45 -38.77 62.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -54.66 -58.49 7.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -135.1 121.6 20.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 tp -44.61 -40.23 5.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.941 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -44.89 -52.96 8.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -48.8 -33.3 10.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.0 tp -72.32 -60.81 2.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.2 mt -52.68 -44.45 66.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -53.33 -45.39 69.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -72.46 127.79 33.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -56.28 -49.97 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.459 ' CE2' ' CD2' ' A' ' 143' ' ' LEU . 2.1 t80 -58.28 -57.91 10.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.12 -42.38 87.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.4 tp -59.6 -63.97 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.26 -50.49 3.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -64.07 -47.33 80.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.808 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -50.51 -41.06 53.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -62.25 -63.02 1.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 t -38.96 -49.05 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.476 ' CE1' ' HG3' ' A' ' 49' ' ' GLU . 15.0 t80 -52.15 -49.71 63.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 50' ' ' PHE . 91.6 mt -59.63 -56.91 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -41.81 -43.86 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -70.24 -43.38 70.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.476 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 5.5 mm-40 -78.68 -4.41 48.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 46' ' ' LEU . 22.9 m-85 66.84 36.99 4.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.7 m -129.68 33.4 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.921 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -74.85 -26.75 59.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.483 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 25.6 pm0 -54.76 -31.43 58.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.483 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 2.7 m-20 -60.98 -53.31 58.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.425 ' CD2' HG13 ' A' ' 59' ' ' ILE . 0.7 OUTLIER -63.7 -47.28 81.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.965 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -42.14 -57.68 2.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -49.08 -34.5 13.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -71.23 -62.83 1.26 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.425 HG13 ' CD2' ' A' ' 55' ' ' LEU . 43.6 mt -46.42 -43.36 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.15 -46.99 86.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.036 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 65.1 m -50.61 -59.64 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -54.62 -35.15 63.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -71.23 -33.91 70.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.514 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.1 t80 -69.11 -26.27 64.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 mmtt -68.85 -29.88 68.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -69.22 -5.12 20.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.955 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.474 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 27.2 mt -80.66 123.3 37.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.192 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.56 3.85 14.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.5 t -84.24 139.07 39.04 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.702 0.763 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -10.39 28.45 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.715 2.276 . . . . 0.0 112.339 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -105.18 -53.52 2.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.474 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -57.93 -41.75 83.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.471 ' HG3' ' CG2' ' A' ' 67' ' ' ILE . 6.8 mtp -54.69 -33.03 60.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.824 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.408 ' O ' ' HB1' ' A' ' 77' ' ' ALA . . . -90.73 -56.21 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.08 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -55.35 -58.38 7.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 19.1 tptm -47.61 -44.27 26.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -50.64 -49.13 57.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -60.23 -35.82 76.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -57.69 -56.66 19.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 35.7 mt -55.7 -30.8 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.609 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -75.96 -44.77 38.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.466 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 13.3 mm-40 -66.72 -8.21 26.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 10.6 tt0 -105.1 -52.85 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.44 ' C ' ' H ' ' A' ' 86' ' ' GLN . 68.4 m-85 -100.84 -53.77 2.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.545 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.2 mm -78.89 25.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -105.9 153.92 21.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.478 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 29.0 m -57.57 134.11 55.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.419 ' N ' HG23 ' A' ' 87' ' ' THR . 12.6 pt-20 37.34 31.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -49.66 162.59 0.44 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.571 0.7 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -30.17 22.4 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.64 2.227 . . . . 0.0 112.384 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -124.95 17.43 8.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 58.1 tt0 -40.6 100.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.8 m -58.84 -175.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -100.06 101.69 12.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -147.67 113.88 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -49.42 161.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -51.4 -37.23 47.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -50.8 -68.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 37.5 m -60.31 -49.65 76.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.175 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.23 -47.73 24.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -61.59 -47.45 85.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.9 mm -43.41 -63.07 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -42.82 -52.66 4.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.144 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.0 mtp -47.33 -55.98 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.827 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -60.35 -22.53 63.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -89.61 6.1 42.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.581 HD13 ' CD2' ' A' ' 81' ' ' TYR . 60.9 mt -92.03 -0.78 57.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.4 t -79.4 -57.9 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.525 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 7.4 mt-10 -123.1 49.68 2.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.71 0.767 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.5 Cg_endo -69.76 134.47 28.05 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.612 2.208 . . . . 0.0 112.358 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.7 t -123.57 -70.65 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.0 mt -134.83 -45.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.402 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 55.9 p -87.91 19.53 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.435 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 1.3 p -56.41 -42.43 77.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.837 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 30.8 m-85 -105.04 36.38 2.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.798 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 113' ' ' SER . 10.6 p-10 -68.46 -49.43 59.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 2.9 tpp -63.61 -66.46 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -46.64 -42.05 15.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.437 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 41.9 tt0 -60.11 -53.7 54.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -25.28 65.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.512 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -67.33 -54.67 18.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 10.4 mm -64.88 -42.12 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -53.91 -37.88 64.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.66 -22.86 62.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.466 HD23 ' ND2' ' A' ' 54' ' ' ASN . 0.7 OUTLIER -83.97 -43.47 15.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.454 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 38.1 mtm -71.05 -11.05 60.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.439 ' O ' ' HD3' ' A' ' 132' ' ' PRO . 6.1 pt-20 -98.41 -23.69 15.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.421 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -110.43 -5.26 15.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' A' ' 132' ' ' PRO . 34.8 t70 -115.85 -65.17 1.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.912 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 133' ' ' ARG . 42.2 m -75.75 -58.86 3.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.594 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.4 tp -35.59 -54.05 1.29 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.7 Cg_endo -69.78 -25.83 28.13 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.718 2.278 . . . . 0.0 112.356 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 130' ' ' SER . 14.4 mtp85 -89.91 -13.38 36.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.4 t80 -86.75 -42.84 13.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.453 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 28.6 m -56.11 -37.7 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -66.16 -44.79 83.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 23.1 p -57.0 136.96 56.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.804 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 139' ' ' PHE . 2.2 mm-40 -41.66 -39.41 1.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 138' ' ' GLU . 97.2 m-85 -37.59 -38.38 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.453 ' CG ' ' HA ' ' A' ' 135' ' ' VAL . 48.7 t80 -86.03 -43.92 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.923 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.49 ' O ' ' CB ' ' A' ' 145' ' ' SER . 79.7 mm-40 -51.91 -32.01 30.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -78.0 -25.12 47.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.459 ' CD2' ' CE2' ' A' ' 37' ' ' TYR . 33.8 mt -70.08 -34.94 73.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 145' ' ' SER . 29.9 pt -99.16 -40.48 8.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 16.5 t -68.53 -40.86 80.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 145' ' ' SER . . . -45.12 172.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.529 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 111.69 2.88 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 9.7 t -124.34 178.38 5.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.1 t -130.55 148.85 52.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.525 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -115.82 137.3 52.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.6 t -82.21 -50.08 9.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.6 110.2 1.11 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -86.25 128.47 34.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.0 m -69.72 -175.86 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' C ' ' H ' ' A' ' 9' ' ' GLU . . . -103.35 111.69 4.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.537 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.523 ' O ' ' C ' ' A' ' 9' ' ' GLU . 53.4 Cg_endo -69.82 7.01 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.332 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.523 ' C ' ' O ' ' A' ' 8' ' ' PRO . 15.8 pt-20 -27.74 133.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -68.8 155.39 93.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.729 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 80.43 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -172.5 -176.96 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -63.92 114.61 4.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.428 HG21 ' ND2' ' A' ' 36' ' ' ASN . 2.2 t -44.82 162.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.47 ' C ' ' HG3' ' A' ' 16' ' ' LYS . 1.5 pt20 -125.89 -68.16 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HG3' ' C ' ' A' ' 15' ' ' GLN . 0.6 OUTLIER -144.95 171.42 14.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.564 HG21 ' CH2' ' A' ' 25' ' ' TRP . 64.5 m -98.38 142.14 30.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 m -87.07 142.7 27.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.427 ' CD1' HD12 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -46.0 -62.6 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -48.18 -19.27 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 24' ' ' GLN . 11.6 tt0 -86.95 -58.82 2.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.445 ' HB1' ' CG2' ' A' ' 144' ' ' ILE . . . -41.52 -31.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.427 HD12 ' CD1' ' A' ' 19' ' ' LEU . 1.1 mt -75.83 -36.04 59.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' GLU . 12.4 mt-30 -54.14 -24.19 16.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.564 ' CH2' HG21 ' A' ' 17' ' ' THR . 36.3 m0 -72.09 -23.49 61.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.942 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 11.4 mtp-105 -74.23 -41.45 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -57.78 -56.24 24.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 t -135.17 137.52 42.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.797 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.4 tp -56.12 -40.17 73.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 31' ' ' LYS . 3.7 m-20 -43.3 -62.68 0.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 30' ' ' ASP . 20.2 mmtt -37.28 -37.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.482 HD21 ' CG ' ' A' ' 42' ' ' PHE . 24.3 tp -73.22 -65.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.3 mt -47.37 -51.92 18.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -54.3 -42.84 70.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -70.0 124.72 24.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.428 ' ND2' HG21 ' A' ' 14' ' ' THR . 3.1 p-10 -57.33 -47.75 80.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -62.88 -53.89 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.14 -39.5 94.52 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.3 tp -62.73 -61.62 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.07 -51.29 4.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.034 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.9 m -66.49 -45.05 80.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.497 ' CD2' HD12 ' A' ' 55' ' ' LEU . 35.7 t80 -51.52 -41.53 61.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -60.8 -64.07 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.5 t -40.56 -41.89 1.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.826 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.422 ' CZ ' ' HG3' ' A' ' 49' ' ' GLU . 18.4 t80 -57.62 -46.69 83.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 50' ' ' PHE . 63.4 mt -57.95 -50.29 73.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -43.72 -47.61 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -65.29 -41.29 94.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.422 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 8.3 mm-40 -80.92 -5.63 57.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 46' ' ' LEU . 15.1 m-85 62.53 36.83 13.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.5 m -129.83 34.84 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -75.94 -20.83 57.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.483 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 11.1 pm0 -60.13 -31.41 70.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.483 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 3.2 m-20 -60.84 -49.33 77.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.86 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.497 HD12 ' CD2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -66.48 -43.8 84.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -44.73 -58.09 3.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -48.79 -31.62 7.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 37.7 t90 -74.62 -62.84 1.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.401 HG13 ' CD2' ' A' ' 55' ' ' LEU . 54.5 mt -46.13 -42.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.88 -49.02 76.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.4 m -47.37 -54.61 10.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -56.62 -44.13 80.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.19 -15.41 59.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.549 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -90.84 -30.51 16.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -65.88 -32.12 73.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -82.21 17.48 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.487 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 24.1 mt -94.03 118.29 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.21 -34.31 11.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -47.46 133.6 10.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -27.44 26.57 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.658 2.239 . . . . 0.0 112.399 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.09 -42.83 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.487 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 3.5 tptt -62.69 -51.61 66.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.4 mtp -44.56 -35.1 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.41 -62.28 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.42 -59.76 3.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -45.39 -46.27 13.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.4 -49.92 23.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.478 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 6.9 pttt -61.08 -39.7 90.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.478 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 21.8 mt-30 -53.27 -50.18 65.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.5 mt -61.29 -29.59 46.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.597 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -77.54 -46.1 23.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.472 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.1 mt-10 -66.02 -8.43 23.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 16.7 tt0 -104.38 -52.58 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.439 ' C ' ' H ' ' A' ' 86' ' ' GLN . 62.7 m-85 -101.74 -53.79 2.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.545 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.3 mm -78.99 26.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.485 ' HG2' ' CB ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -104.81 148.13 26.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.973 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.413 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 21.0 m -55.13 123.94 15.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 48.08 33.73 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -53.39 163.25 1.01 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.523 0.678 . . . . 0.0 111.093 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.66 -33.22 17.41 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.652 2.235 . . . . 0.0 112.411 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -121.89 17.82 10.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -40.91 105.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.3 m -61.65 -176.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -98.7 98.54 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.4 pt -145.98 112.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -50.44 157.92 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -48.32 -34.41 10.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -51.72 -70.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 63.7 m -60.17 -50.09 75.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.149 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.53 -45.24 13.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.901 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.16 -45.57 92.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 40.9 mm -44.54 -63.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.522 HG23 ' CE1' ' A' ' 115' ' ' PHE . 88.6 m -42.05 -55.15 3.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.5 mtp -42.82 -54.38 4.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -61.45 -24.21 66.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.847 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 103' ' ' THR . 92.5 m-20 -87.64 7.97 27.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.574 HD11 ' CD2' ' A' ' 81' ' ' TYR . 34.6 mt -93.68 -3.93 51.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.5 t -76.8 -58.07 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 10.0 mt-10 -123.33 51.23 3.67 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.561 0.696 . . . . 0.0 110.841 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.6 Cg_endo -69.79 134.74 28.66 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.729 2.286 . . . . 0.0 112.323 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.1 m -132.02 -66.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.4 mt -135.03 -45.35 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 t -89.79 22.25 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.1 p -60.02 -38.4 82.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.522 ' CE1' HG23 ' A' ' 103' ' ' THR . 96.0 m-85 -114.24 47.05 1.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.98 -51.19 11.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.868 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 5.0 tpp -64.86 -58.93 4.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.76 -42.59 46.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -60.62 -57.85 10.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -27.43 68.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.453 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -66.68 -53.32 35.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 8.2 mm -67.97 -45.2 84.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -53.31 -37.6 62.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.53 -20.53 62.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.471 HD21 ' ND2' ' A' ' 54' ' ' ASN . 0.4 OUTLIER -86.63 -43.95 12.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.448 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 41.6 mtm -68.85 -10.34 56.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.434 ' HA ' ' CB ' ' A' ' 131' ' ' LEU . 5.6 pt-20 -97.35 -23.99 15.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.815 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.44 -6.06 14.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -111.7 -66.46 1.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 133' ' ' ARG . 14.4 p -78.38 -57.41 3.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.592 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.2 tp -34.2 -53.86 0.89 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.585 0.707 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.6 Cg_endo -69.77 -29.15 24.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.333 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 130' ' ' SER . 22.9 mmt180 -85.66 -13.75 47.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 130' ' ' SER . 14.0 t80 -85.22 -50.22 7.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 136' ' ' ARG . 23.6 m -49.92 -26.54 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.058 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.461 ' N ' HG21 ' A' ' 135' ' ' VAL . 7.8 mtp85 -74.99 -42.53 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 138' ' ' GLU . 13.8 p -60.31 133.12 55.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 139' ' ' PHE . 0.1 OUTLIER -36.01 -41.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.457 ' C ' ' O ' ' A' ' 138' ' ' GLU . 89.5 m-85 -33.74 -43.25 0.13 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.821 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.424 ' CE1' HG23 ' A' ' 144' ' ' ILE . 47.1 t80 -80.51 -44.72 18.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 145' ' ' SER . 93.2 mm-40 -49.09 -35.12 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -77.61 -25.49 49.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 41.6 mt -70.4 -33.91 71.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.445 ' CG2' ' HB1' ' A' ' 22' ' ' ALA . 31.7 pt -100.35 -40.76 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 8.6 t -69.89 -33.05 71.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -56.77 -166.01 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 88.86 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.303 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 47.9 p -173.62 135.25 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.5 t -156.8 174.9 14.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.424 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t 62.61 42.32 8.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.898 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -111.34 -48.31 3.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.897 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.55 171.92 13.95 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.422 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 p -160.87 167.69 26.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.903 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 7' ' ' GLY . 63.2 m -83.86 -53.22 5.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.821 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.32 67.77 0.35 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -15.1 36.78 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.617 2.211 . . . . 0.0 112.344 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -104.16 83.8 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -91.76 142.99 27.2 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 176.3 6.95 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.703 2.268 . . . . 0.0 112.34 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -174.02 117.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.053 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.77 144.6 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.8 t -150.95 171.2 17.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -123.87 179.27 4.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -47.3 171.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.558 HG22 ' CZ2' ' A' ' 25' ' ' TRP . 85.4 m -104.06 133.13 49.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -87.97 158.71 18.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.411 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -58.34 -53.38 58.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -57.76 -12.02 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 24' ' ' GLN . 9.3 tt0 -88.63 -61.07 1.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.541 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -37.7 -35.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.089 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 mt -69.38 -41.24 76.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.51 ' N ' ' O ' ' A' ' 21' ' ' GLU . 32.7 mt-30 -54.5 -22.92 14.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.567 ' CD1' ' HA ' ' A' ' 32' ' ' LEU . 44.8 m0 -70.8 -23.03 62.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -76.65 -39.82 51.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -53.02 -58.58 6.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -134.99 132.86 38.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.494 HD23 ' CE1' ' A' ' 123' ' ' HIS . 8.3 tp -49.42 -45.17 45.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' LYS . 16.3 m-20 -42.63 -62.44 0.99 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -36.52 -47.97 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.884 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.567 ' HA ' ' CD1' ' A' ' 25' ' ' TRP . 26.6 tp -60.13 -61.43 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.956 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 52.3 mt -49.38 -50.36 40.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.007 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -48.82 -44.65 39.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -75.19 127.98 34.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -60.33 -51.25 70.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.815 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.19 -52.57 62.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.08 -40.6 99.14 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.448 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.0 tp -64.12 -62.67 1.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.42 -56.07 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.5 m -62.63 -42.55 99.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.582 ' CD2' HD11 ' A' ' 55' ' ' LEU . 22.9 t80 -53.57 -44.38 69.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -57.43 -64.88 0.74 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 t -37.79 -49.18 1.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.534 ' CD2' ' HB2' ' A' ' 134' ' ' PHE . 42.4 t80 -48.32 -44.85 34.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.811 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.76 -51.85 63.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -41.11 -45.72 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 m -64.77 -41.28 95.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -79.83 -10.69 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 68.97 32.86 3.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 m -126.84 30.92 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -72.26 -25.98 61.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 91' ' ' LYS . 3.7 pt-20 -54.57 -33.97 61.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.483 ' ND2' HD22 ' A' ' 125' ' ' LEU . 3.0 m-20 -58.87 -46.57 87.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.582 HD11 ' CD2' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -72.69 -46.12 55.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -40.68 -59.89 1.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -44.66 -39.08 4.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -67.05 -64.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 39.2 mt -42.32 -42.63 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.74 -45.89 87.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.047 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 54.9 m -47.29 -57.79 4.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -55.82 -41.49 74.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -65.44 -20.8 66.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.809 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.526 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.2 t80 -86.89 -30.8 21.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -63.89 -31.88 73.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' A' ' 66' ' ' LYS . 0.9 OUTLIER -83.63 23.62 0.94 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.839 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.511 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 20.6 mt -101.18 113.19 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -93.51 -34.21 13.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.833 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 m -46.36 130.77 7.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.731 0.777 . . . . 0.0 110.811 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -20.86 33.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.274 . . . . 0.0 112.305 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -92.56 -41.02 10.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.511 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -67.0 -49.66 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.9 mtp -45.39 -37.48 5.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.67 -57.18 2.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 11.1 mm-40 -53.04 -57.54 10.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 18.3 tptm -48.94 -48.86 42.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.4 -46.05 9.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 3.6 pttp -63.96 -40.19 95.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.48 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 19.1 mt-30 -52.75 -51.98 58.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.3 mt -60.24 -30.11 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.61 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -76.27 -45.09 34.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.462 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 6.6 mt-10 -67.44 -8.7 35.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 20.4 tt0 -105.05 -49.73 3.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.458 ' C ' ' H ' ' A' ' 86' ' ' GLN . 78.3 m-85 -103.57 -54.85 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.553 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -77.95 27.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.462 ' HB2' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -107.46 146.98 31.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 89' ' ' ALA . 67.4 m -50.97 134.2 26.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 37.1 32.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 87' ' ' THR . . . -49.88 162.33 0.48 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.593 0.711 . . . . 0.0 111.094 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -31.67 19.82 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.285 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 53' ' ' GLU . 8.8 mtpp -123.63 20.6 9.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -42.18 103.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.0 m -62.98 165.44 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -80.65 96.9 7.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.4 pt -146.1 112.25 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -48.89 167.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -56.74 -34.64 67.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -52.14 -68.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.7 m -60.7 -47.5 86.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.22 -53.15 18.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -54.81 -49.15 71.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.1 mm -41.14 -67.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.201 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.472 HG23 ' CD2' ' A' ' 115' ' ' PHE . 97.8 m -39.44 -52.9 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.6 mtp -48.28 -57.3 6.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -59.2 -20.95 58.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -90.53 5.0 49.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.563 HD11 ' CD2' ' A' ' 81' ' ' TYR . 37.4 mt -89.29 -2.94 58.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.405 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 14.9 t -79.47 -57.8 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.105 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.522 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 11.0 mt-10 -121.73 49.71 2.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.728 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.78 124.16 10.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.624 2.216 . . . . 0.0 112.398 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.4 m -118.24 -70.63 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.7 mt -134.09 -44.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.8 m -87.16 20.2 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.7 m -49.06 -55.83 10.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.828 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.472 ' CD2' HG23 ' A' ' 103' ' ' THR . 40.0 m-85 -99.87 39.11 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -64.32 -34.94 79.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 4.2 tpp -83.35 -67.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -43.99 -33.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 37.4 tt0 -66.8 -53.16 35.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -67.41 -29.01 68.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.98 -54.8 24.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 11.2 mm -65.34 -46.02 91.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.494 ' CE1' HD23 ' A' ' 29' ' ' LEU . 7.1 t-80 -55.59 -35.59 65.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.3 -23.87 61.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.483 HD22 ' ND2' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -85.47 -43.08 13.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.486 ' CG ' ' HA ' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -69.89 -11.71 61.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.473 ' HA ' ' CB ' ' A' ' 131' ' ' LEU . 5.4 pt-20 -96.34 -22.55 17.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.79 -6.85 14.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -109.39 -66.89 1.02 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.893 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 133' ' ' ARG . 22.8 p -80.04 -55.9 4.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.581 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 4.1 tp -32.83 -54.25 0.6 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.624 0.726 . . . . 0.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.2 Cg_endo -69.86 -31.54 19.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.64 2.227 . . . . 0.0 112.345 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 130' ' ' SER . 15.5 mtt180 -84.25 -12.69 54.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.534 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 17.8 t80 -85.46 -35.95 20.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.438 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 33.8 m -70.25 -34.44 58.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.179 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -60.85 -44.9 96.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 87.2 p -61.9 166.42 4.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 139' ' ' PHE . 2.7 tt0 -64.65 -38.37 90.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 138' ' ' GLU . 92.4 m-85 -34.35 -39.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.438 ' CB ' ' HA ' ' A' ' 135' ' ' VAL . 66.2 t80 -88.11 -43.95 11.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 145' ' ' SER . 99.0 mm-40 -50.26 -32.2 16.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.19 -25.93 52.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 34.3 mt -69.63 -37.24 76.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.458 HG13 ' N ' ' A' ' 145' ' ' SER . 35.1 pt -96.2 -41.17 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 11.9 t -68.29 -39.73 82.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -48.74 178.77 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 148' ' ' SER . 54.2 Cg_endo -69.7 -49.53 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.659 2.239 . . . . 0.0 112.41 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 147' ' ' PRO . 9.3 m 34.21 39.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.8 m -113.38 -43.62 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.544 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m -147.29 134.8 20.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.356 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -56.02 154.46 7.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.86 154.69 27.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.543 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -163.16 146.25 10.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.821 0.343 . . . . 0.0 110.917 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -54.53 -62.48 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.42 147.87 4.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.46 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.33 21.85 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.65 2.233 . . . . 0.0 112.368 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -171.44 119.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -140.68 141.58 25.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.523 0.678 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -172.27 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.235 . . . . 0.0 112.352 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.21 132.87 7.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.03 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -155.89 157.3 36.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -124.67 171.32 10.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -167.79 179.31 4.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.934 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -93.92 176.1 6.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.556 HG22 ' CH2' ' A' ' 25' ' ' TRP . 43.1 m -112.99 139.25 48.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -102.55 161.55 13.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.43 HD11 ' C ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -56.81 -57.82 10.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -56.64 -12.26 1.74 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 24' ' ' GLN . 12.4 tt0 -89.81 -59.23 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB3' ' CG2' ' A' ' 144' ' ' ILE . . . -40.92 -32.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.403 ' CD1' ' HA ' ' A' ' 20' ' ' ASP . 1.2 mt -71.99 -38.6 69.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' GLU . 62.2 mt-30 -54.47 -23.66 17.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.556 ' CH2' HG22 ' A' ' 17' ' ' THR . 50.5 m0 -71.09 -23.38 62.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -71.92 -38.84 69.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -56.32 -59.85 4.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -135.15 126.41 28.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.817 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 tp -48.21 -39.38 20.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -44.97 -53.28 7.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -47.98 -37.53 14.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.509 HD11 ' CD2' ' A' ' 25' ' ' TRP . 38.3 tp -67.64 -64.46 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.436 HD21 ' CD1' ' A' ' 39' ' ' LEU . 58.4 mt -48.96 -44.83 41.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -53.8 -45.05 70.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -72.85 127.24 31.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -56.32 -53.26 59.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -55.39 -56.19 23.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.77 -41.77 94.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.52 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.436 ' CD1' HD21 ' A' ' 33' ' ' LEU . 32.1 tp -62.95 -61.3 2.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.845 0.355 . . . . 0.0 110.917 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.78 -48.76 10.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.073 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.2 m -68.98 -43.22 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.516 ' CD2' HD13 ' A' ' 55' ' ' LEU . 46.8 t80 -53.84 -42.92 69.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 46' ' ' LEU . 36.7 mtpt -58.1 -63.58 1.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 t -40.47 -45.32 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.435 ' CD2' ' HB2' ' A' ' 134' ' ' PHE . 26.2 t80 -52.07 -40.8 61.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 52' ' ' GLU . 9.0 mp -71.97 -53.44 13.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.421 ' HG3' ' CD ' ' A' ' 52' ' ' GLU . 39.8 mtpt -41.26 -41.97 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.3 p -69.77 -36.46 75.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.83 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' OE2' ' NH1' ' A' ' 133' ' ' ARG . 5.6 mm-40 -85.18 -9.98 57.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 69.09 32.11 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.4 m -126.42 30.94 5.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.785 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.436 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 13.1 tt0 -73.76 -22.48 59.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.478 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 5.6 pm0 -52.5 -33.57 45.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.485 ' ND2' HD22 ' A' ' 125' ' ' LEU . 5.2 m-20 -60.37 -44.13 95.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.516 HD13 ' CD2' ' A' ' 42' ' ' PHE . 1.2 tt -72.36 -46.25 56.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -42.38 -57.57 2.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 85' ' ' ILE . 29.9 t80 -49.01 -37.24 19.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 43.2 t90 -67.21 -60.07 2.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.3 mt -48.77 -45.13 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.55 88.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 65.7 m -46.98 -56.48 6.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -58.07 -36.84 73.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -69.79 -16.05 63.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.483 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 2.3 t80 -91.79 -30.74 16.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -63.85 -31.02 72.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -82.84 18.2 1.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.464 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 28.2 mt -97.9 103.79 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.135 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' SD ' ' A' ' 73' ' ' MET . 0.0 OUTLIER -84.79 -39.34 18.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -41.48 136.55 1.85 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.678 0.751 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -29.54 23.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.621 2.214 . . . . 0.0 112.37 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.67 -59.55 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.464 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -46.86 -46.13 20.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 68' ' ' LYS . 11.5 mtp -50.18 -38.11 38.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.35 -57.39 2.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -53.27 -56.84 13.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -48.05 -47.87 33.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.98 -46.23 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 2.3 pttp -67.25 -38.33 84.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.963 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.463 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 26.1 mt-30 -54.55 -50.41 68.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.5 mt -64.39 -29.38 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.608 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -75.14 -45.77 38.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.506 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 14.6 mt-10 -65.07 -8.28 15.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 12.8 tt0 -106.16 -52.48 2.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.431 ' C ' ' H ' ' A' ' 86' ' ' GLN . 69.7 m-85 -101.88 -54.75 2.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.57 HD11 ' CZ ' ' A' ' 57' ' ' PHE . 1.2 mm -78.97 29.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.506 ' HB2' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -105.76 148.6 27.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.981 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.427 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 23.2 m -58.26 120.93 9.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 53.15 27.68 6.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.457 ' CB ' ' HG2' ' A' ' 86' ' ' GLN . . . -49.88 164.46 0.36 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -33.97 15.41 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.339 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -121.89 16.78 10.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -42.58 103.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.4 m -57.8 176.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -91.75 98.02 11.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.0 pt -142.18 111.59 2.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -47.59 161.39 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -50.71 -38.45 47.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -48.63 -68.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.9 m -61.95 -53.29 57.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.413 ' HE2' ' CG2' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -43.79 -46.16 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.66 -45.19 93.98 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.5 mm -44.91 -64.37 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.8 m -40.11 -52.84 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.6 mtp -46.97 -56.65 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -60.71 -16.31 38.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -95.29 -0.25 53.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.535 HD12 ' CD2' ' A' ' 81' ' ' TYR . 87.6 mt -89.25 1.47 55.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.2 p -88.22 -42.92 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 6.1 mm-40 -132.76 45.0 1.47 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.673 0.749 . . . . 0.0 110.841 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.8 Cg_endo -69.69 137.55 35.92 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.409 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 m -133.72 -68.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.949 0.405 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.7 mt -133.67 -43.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.4 m -89.11 22.62 2.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.2 m -50.13 -56.64 10.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -98.08 34.65 1.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -61.39 -34.48 75.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 3.9 tpp -86.09 -59.69 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.86 -36.44 17.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -66.64 -53.94 28.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -64.77 -30.34 71.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.447 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -64.99 -59.06 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.803 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 8.0 mm -60.43 -40.62 84.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -57.12 -38.31 73.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.85 -20.47 63.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.485 HD22 ' ND2' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -85.52 -45.89 11.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.429 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 46.0 mtm -67.83 -10.97 57.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.447 ' HA ' ' CB ' ' A' ' 131' ' ' LEU . 8.7 pt-20 -97.91 -25.75 14.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.41 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -112.29 -1.32 15.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 125' ' ' LEU . 37.3 t0 -116.43 -65.92 1.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 134' ' ' PHE . 5.1 p -79.99 -52.45 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.631 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.8 tp -39.72 -51.92 5.09 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.606 0.717 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.5 Cg_endo -69.71 -22.33 32.44 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.635 2.223 . . . . 0.0 112.424 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.452 ' NH1' ' OE2' ' A' ' 49' ' ' GLU . 6.9 mtp-105 -96.07 -13.27 23.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 130' ' ' SER . 25.5 t80 -85.98 -38.15 18.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.409 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 28.8 m -62.51 -38.51 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 23.7 mtm105 -65.1 -40.82 95.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 49.7 p -62.27 136.35 57.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.511 ' OE1' ' N ' ' A' ' 138' ' ' GLU . 0.2 OUTLIER -38.72 -41.0 0.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 138' ' ' GLU . 96.2 m-85 -34.57 -40.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.409 ' CB ' ' HA ' ' A' ' 135' ' ' VAL . 44.6 t80 -87.7 -45.61 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 145' ' ' SER . 74.2 mm-40 -48.43 -34.06 10.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -76.85 -27.0 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 31.5 mt -68.19 -35.0 77.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.438 HG13 ' N ' ' A' ' 145' ' ' SER . 26.6 pt -99.21 -40.49 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.048 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 17.6 t -68.35 -32.42 72.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -53.16 -173.8 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.478 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 89.19 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.346 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 52.4 p -174.69 139.02 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 46.2 p -166.0 152.68 9.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.786 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.482 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.7 p -119.62 146.51 45.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.92 0.39 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 p -86.12 161.59 18.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.17 100.91 0.97 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.441 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -138.07 159.02 43.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -123.51 160.21 27.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.91 120.76 2.77 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.455 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -176.66 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.618 2.212 . . . . 0.0 112.319 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -129.37 145.85 51.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -109.37 139.72 21.36 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.527 0.68 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 116.8 4.72 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.679 2.253 . . . . 0.0 112.357 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -130.92 178.78 6.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -166.74 134.14 2.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.7 p -84.9 -176.51 6.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.41 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 18.6 pm0 -123.67 -22.06 5.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 7.0 mtpm? -159.76 177.74 10.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.495 HG21 ' CH2' ' A' ' 25' ' ' TRP . 98.0 m -125.01 126.96 46.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.053 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -73.08 156.53 38.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -60.39 -56.83 16.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.66 -15.29 1.72 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' GLN . 8.5 tt0 -87.75 -56.78 3.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.566 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -42.06 -31.48 0.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -75.5 -37.65 60.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' GLU . 27.3 mt-30 -55.2 -18.29 5.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.973 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.566 ' CE3' ' HA ' ' A' ' 22' ' ' ALA . 34.8 m0 -71.27 -23.27 61.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -71.5 -49.41 41.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -47.91 -57.4 5.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m -134.89 133.48 39.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.402 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 6.4 tp -52.59 -46.83 67.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 31' ' ' LYS . 7.9 t70 -37.19 -64.49 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' C ' ' HG2' ' A' ' 34' ' ' GLN . 14.8 mmtm -35.54 -38.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.494 ' HA ' ' CD1' ' A' ' 25' ' ' TRP . 28.4 tp -69.48 -61.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.977 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.413 HD22 ' CD1' ' A' ' 39' ' ' LEU . 24.4 mt -51.96 -53.27 43.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.473 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 12.5 pt20 -46.38 -38.22 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.473 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 6.2 m120 -85.66 121.89 28.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.68 -51.22 61.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -50.88 -60.67 2.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.72 -42.86 91.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.486 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.413 ' CD1' HD22 ' A' ' 33' ' ' LEU . 39.0 tp -59.71 -63.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.845 0.355 . . . . 0.0 110.934 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.7 -51.96 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.2 m -67.16 -42.91 83.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.809 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.441 ' CD2' HD12 ' A' ' 55' ' ' LEU . 23.0 t80 -53.62 -39.78 65.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -63.97 -63.44 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 t -39.63 -42.96 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -54.97 -56.21 22.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.426 ' HB3' ' C ' ' A' ' 51' ' ' SER . 82.1 mt -53.93 -48.09 70.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -50.04 -48.06 53.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m -67.67 -12.26 60.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -112.37 0.46 15.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 61.93 34.42 16.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.426 ' C ' ' HB3' ' A' ' 46' ' ' LEU . 19.2 m -131.28 34.37 4.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.782 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -80.43 -10.08 59.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.481 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 11.3 pm0 -66.99 -36.09 81.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.482 ' ND2' HD21 ' A' ' 125' ' ' LEU . 8.6 m-20 -56.33 -47.73 78.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.45 HD23 ' CD1' ' A' ' 59' ' ' ILE . 1.2 tt -67.86 -42.14 81.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -48.51 -52.15 23.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.556 ' CZ ' HD11 ' A' ' 85' ' ' ILE . 17.9 t80 -54.29 -33.42 58.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.412 ' CZ2' HD13 ' A' ' 33' ' ' LEU . 69.2 t90 -72.62 -58.61 3.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.45 ' CD1' HD23 ' A' ' 55' ' ' LEU . 40.2 mt -48.81 -46.06 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.8 88.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.06 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 88.5 m -48.14 -62.86 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -48.81 -41.87 34.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -65.08 -23.83 67.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.567 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -85.5 -27.0 25.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.832 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -69.88 -29.14 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -83.01 10.5 7.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.476 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 20.1 mt -90.86 127.6 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -108.29 -31.88 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.775 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 m -48.65 133.9 13.78 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -20.56 34.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.03 -41.34 10.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.476 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 5.3 tptt -67.66 -49.96 60.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.463 ' HG3' ' CG2' ' A' ' 67' ' ' ILE . 9.4 mtp -47.82 -33.34 7.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.71 -60.48 1.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -52.41 -59.2 4.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.811 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.4 tptt -46.14 -39.83 10.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.23 -51.17 65.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -30.49 71.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -62.75 -49.07 76.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.0 mt -64.48 -29.41 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.611 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -78.13 -44.0 27.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.464 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 13.5 mm-40 -66.63 -8.24 25.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 12.5 tt0 -106.66 -52.64 2.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.42 ' C ' ' H ' ' A' ' 86' ' ' GLN . 68.2 m-85 -100.01 -54.0 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.556 HD11 ' CZ ' ' A' ' 57' ' ' PHE . 1.2 mm -80.16 27.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -106.25 149.14 27.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.445 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 29.4 m -55.73 129.37 39.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 42.08 35.94 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -55.38 163.89 1.63 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 111.053 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -34.23 15.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.766 2.311 . . . . 0.0 112.319 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -121.28 22.41 10.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -39.76 129.12 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.407 ' CG2' HD13 ' A' ' 95' ' ' ILE . 34.9 m -88.98 175.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -92.5 98.1 11.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.407 HD13 ' CG2' ' A' ' 93' ' ' VAL . 0.9 OUTLIER -142.17 111.96 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.16 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 97' ' ' HIS . 35.8 t70 -51.62 146.23 7.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 96' ' ' ASP . 38.8 m80 -34.12 -41.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.797 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -47.21 -65.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.6 m -64.54 -56.61 12.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.59 -28.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -82.1 -41.77 20.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.8 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.5 mm -50.46 -55.65 5.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.6 m -48.13 -47.25 34.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.6 mtp -51.03 -55.02 19.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp -63.47 -21.21 66.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -90.1 4.98 48.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' A' ' 81' ' ' TYR . 18.9 mt -91.01 -3.34 57.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.467 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 13.3 t -78.93 -60.98 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.512 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 5.2 mm-40 -117.93 49.96 1.04 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.6 Cg_endo -69.75 131.24 20.83 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.407 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.6 t -129.44 -68.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.2 mt -133.05 -44.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.1 m -90.84 22.81 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.2 p -61.3 -38.6 87.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -111.37 40.29 2.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -73.1 -46.25 52.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 4.2 tpp -68.86 -62.35 1.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.16 -44.95 32.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -58.52 -58.52 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -29.0 69.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.427 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -67.01 -52.01 47.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.3 mm -70.57 -40.95 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -56.41 -35.36 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.5 -20.06 60.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.6 OUTLIER -83.58 -44.87 14.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.977 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.432 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 27.8 mtm -72.46 -10.03 59.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 131' ' ' LEU . 6.0 pt-20 -97.38 -27.06 14.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.46 -3.4 15.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 33.2 t0 -114.07 -66.25 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 133' ' ' ARG . 15.2 m -78.43 -55.58 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.583 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 4.1 tp -35.33 -53.93 1.2 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.572 0.701 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 54.0 Cg_endo -69.75 -26.92 27.14 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 130' ' ' SER . 80.7 mtm180 -89.4 -12.76 39.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 130' ' ' SER . 12.9 t80 -87.37 -35.99 18.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.526 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 17.7 m -62.5 -40.29 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.1 mtm105 -64.17 -28.0 69.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.1 p -73.65 138.23 44.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 140' ' ' TYR . 1.2 mt-10 -39.32 -51.58 2.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.491 ' C ' ' O ' ' A' ' 138' ' ' GLU . 55.9 m-85 -30.18 -39.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.526 ' CG ' ' HA ' ' A' ' 135' ' ' VAL . 63.2 t80 -87.27 -53.2 4.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 145' ' ' SER . 66.4 mm-40 -43.81 -32.64 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 6.4 pt-20 -75.98 -31.66 59.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 140' ' ' TYR . 73.8 mt -56.39 -31.53 63.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.478 HG12 ' N ' ' A' ' 145' ' ' SER . 0.2 OUTLIER -109.88 -36.12 2.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 40.6 t -62.35 -31.73 72.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -57.24 179.42 0.78 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 108.46 2.08 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.676 2.251 . . . . 0.0 112.376 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.5 t -155.74 179.81 8.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 71.6 m -118.18 154.56 31.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -165.59 149.88 8.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.896 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -167.12 175.72 7.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.8 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.71 167.61 36.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -167.62 178.34 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.368 . . . . 0.0 110.907 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 m -162.48 178.6 8.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.17 131.15 2.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.439 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -171.16 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.652 2.235 . . . . 0.0 112.291 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -127.73 177.24 6.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -129.14 152.59 79.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.534 0.683 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -171.17 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.62 2.213 . . . . 0.0 112.379 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.3 179.99 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -117.13 179.81 3.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.8 p -113.39 176.8 4.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -132.02 155.57 47.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -140.61 169.69 17.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.558 HG21 ' CH2' ' A' ' 25' ' ' TRP . 97.1 m -153.56 142.28 20.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -94.9 152.46 18.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.419 HD22 ' CB ' ' A' ' 144' ' ' ILE . 0.9 OUTLIER -50.84 -58.83 4.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.24 -18.19 3.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 24' ' ' GLN . 8.9 tt0 -84.08 -58.61 2.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -41.19 -31.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -74.94 -38.15 61.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 21' ' ' GLU . 11.2 mt-30 -56.29 -15.63 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.558 ' CH2' HG21 ' A' ' 17' ' ' THR . 44.8 m0 -74.52 -22.64 58.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 13.6 mtp-105 -72.07 -34.63 68.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -61.26 -56.01 25.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.2 m -135.04 128.74 32.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tp -51.75 -39.27 58.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -45.87 -55.69 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.448 ' C ' ' HG2' ' A' ' 34' ' ' GLN . 14.6 mttm -45.89 -33.41 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.8 tp -71.97 -58.25 3.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.444 HD21 ' CD1' ' A' ' 39' ' ' LEU . 22.5 mt -53.81 -53.12 56.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.476 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 13.4 pt20 -45.18 -40.0 6.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.964 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.476 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 3.2 t-20 -80.98 116.33 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -48.36 -47.95 36.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.429 ' CE2' ' CD2' ' A' ' 143' ' ' LEU . 2.2 t80 -55.68 -60.96 2.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.93 -42.46 80.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.429 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.444 ' CD1' HD21 ' A' ' 33' ' ' LEU . 35.5 tp -59.13 -63.45 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.981 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -40.93 -53.78 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 m -65.78 -37.97 87.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -58.75 -36.98 75.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.832 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -66.04 -65.54 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.0 t -41.94 -41.04 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.49 ' CZ ' ' O ' ' A' ' 133' ' ' ARG . 33.7 t80 -55.72 -40.09 71.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 49' ' ' GLU . 5.6 mp -74.17 -49.77 22.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -41.39 -38.73 1.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -69.31 -34.76 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.772 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.548 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 4.0 mm-40 -94.93 14.0 23.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 2.7 p90 47.23 31.35 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.6 m -119.59 27.6 8.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -74.88 -26.75 59.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -49.47 -37.16 25.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.461 ' ND2' HD21 ' A' ' 125' ' ' LEU . 10.0 m-20 -55.12 -46.69 75.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 58' ' ' TRP . 0.5 OUTLIER -67.71 -49.54 62.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -41.14 -49.74 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.403 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 23.5 t80 -54.5 -34.78 62.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.427 ' N ' ' O ' ' A' ' 55' ' ' LEU . 52.1 t90 -72.37 -63.68 1.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 36.0 mt -44.71 -42.39 2.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.25 -52.72 60.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 57' ' ' PHE . 75.2 m -40.55 -56.87 1.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.94 -39.02 68.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -67.53 -19.91 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.461 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 t80 -86.79 -28.32 23.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -69.28 -33.38 73.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -75.31 3.4 9.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.477 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 10.0 mt -89.67 113.81 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -96.45 -29.85 13.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.447 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 1.3 t -46.74 138.52 6.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.567 0.698 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -32.93 17.7 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.67 2.246 . . . . 0.0 112.383 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.36 -54.73 4.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.477 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -51.91 -53.69 38.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.0 mtp -45.05 -32.26 1.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.76 -63.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.16 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -50.83 -56.43 12.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.804 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.404 ' HG2' ' CD1' ' A' ' 67' ' ' ILE . 20.0 tptm -49.35 -42.69 42.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.95 -40.76 63.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.073 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 12.3 pttt -68.63 -37.08 79.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.484 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 29.1 mt-30 -55.09 -56.24 22.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 34.8 mt -58.05 -22.72 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.614 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -83.85 -42.74 16.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.444 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 15.2 mt-10 -69.95 -9.75 56.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.957 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 12.1 tt0 -103.95 -46.72 4.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.472 ' C ' ' H ' ' A' ' 86' ' ' GLN . 79.9 m-85 -106.18 -55.65 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.552 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.4 mm -76.98 26.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.177 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -106.3 142.37 36.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.9 m -50.03 129.64 20.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 47.37 30.54 1.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.812 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 83' ' ' GLU . . . -51.32 158.67 1.3 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.52 0.676 . . . . 0.0 111.105 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -29.68 23.51 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.613 2.209 . . . . 0.0 112.354 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -122.58 16.87 10.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -39.6 103.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 26.4 m -61.71 179.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.156 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -93.91 97.61 10.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.6 pt -146.58 113.09 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -50.87 156.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -45.99 -37.04 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -50.73 -69.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.3 m -60.17 -48.96 79.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.04 -50.62 19.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -56.21 -46.37 79.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.4 mm -43.35 -64.03 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 93.2 m -42.83 -49.35 5.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mtp -50.36 -55.12 17.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -62.86 -19.91 64.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -92.35 4.89 52.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.463 ' CD1' ' CD2' ' A' ' 81' ' ' TYR . 25.2 mt -90.06 -3.16 58.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.404 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 17.2 t -76.92 -60.85 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.507 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 1.4 pt-20 -120.95 50.8 2.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.73 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.4 Cg_endo -69.61 134.23 27.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.5 m -128.19 -70.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.5 mt -131.69 -44.33 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.959 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.8 p -85.69 20.73 2.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.7 m -48.29 -61.0 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -97.57 34.07 1.91 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -58.68 -35.44 72.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 8.0 tpp -84.65 -55.1 4.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.66 -41.24 66.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.08 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -61.21 -54.1 48.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -65.93 -30.56 71.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.494 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -64.42 -52.11 59.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.3 mm -67.77 -42.89 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -56.41 -39.78 73.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.58 -19.79 65.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.042 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.461 HD21 ' ND2' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -85.91 -54.42 4.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.876 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 32.5 mtm -60.67 -9.93 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.45 ' HA ' ' CB ' ' A' ' 131' ' ' LEU . 4.8 pt-20 -99.36 -22.62 15.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -110.27 -7.21 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 133' ' ' ARG . 5.7 m-20 -118.85 -66.01 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 134' ' ' PHE . 48.9 m -71.27 -50.34 33.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.555 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 3.5 tp -45.4 -55.42 11.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.584 0.706 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.0 Cg_endo -69.8 -23.14 30.96 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.49 ' O ' ' CZ ' ' A' ' 45' ' ' PHE . 14.7 mmp_? -91.91 -13.8 30.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 130' ' ' SER . 9.1 t80 -85.35 -37.88 19.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.427 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 34.4 m -65.19 -16.18 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -79.31 -39.37 33.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 138' ' ' GLU . 23.4 p -69.51 133.5 47.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.788 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 139' ' ' PHE . 1.1 pm0 -34.96 -41.97 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.47 ' C ' ' O ' ' A' ' 138' ' ' GLU . 84.3 m-85 -32.35 -43.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.494 ' O ' ' N ' ' A' ' 143' ' ' LEU . 60.0 t80 -84.12 -53.18 5.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.955 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.502 ' O ' ' CB ' ' A' ' 145' ' ' SER . 82.2 mm-40 -41.38 -34.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 139' ' ' PHE . 9.3 pt-20 -74.58 -34.88 62.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 140' ' ' TYR . 75.3 mt -53.11 -35.08 59.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.461 HG12 ' N ' ' A' ' 145' ' ' SER . 0.2 OUTLIER -105.91 -33.93 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.086 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 48.5 t -67.49 -64.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 145' ' ' SER . . . 33.82 -147.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 148' ' ' SER . 53.6 Cg_endo -69.79 -179.02 2.63 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.299 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 147' ' ' PRO . 66.6 m -34.43 124.98 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.4 t -171.34 130.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.783 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -115.69 142.93 46.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.933 0.397 . . . . 0.0 110.771 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 p -66.07 -46.4 77.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.86 118.84 2.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -68.56 -56.42 8.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.895 0.379 . . . . 0.0 110.882 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -85.2 171.94 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.35 125.83 1.74 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.457 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -47.31 0.93 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.709 2.273 . . . . 0.0 112.304 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -158.99 163.4 36.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -174.41 131.41 0.49 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.614 0.721 . . . . 0.0 110.87 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 0.58 5.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.32 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.09 -46.78 82.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -46.19 -67.88 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 p -152.81 -176.31 5.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.176 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -131.54 -179.55 5.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -116.5 174.79 5.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.505 HG21 ' CH2' ' A' ' 25' ' ' TRP . 87.5 m -121.83 142.97 49.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -103.62 143.95 32.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.439 ' CD1' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -45.53 -62.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -47.65 -19.62 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 24' ' ' GLN . 3.3 tp10 -88.99 -56.59 3.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.433 ' HB1' ' CG2' ' A' ' 144' ' ' ILE . . . -42.31 -31.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.439 HD11 ' CD1' ' A' ' 19' ' ' LEU . 1.5 mt -76.15 -36.05 58.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 21' ' ' GLU . 16.6 mt-30 -54.56 -22.0 11.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.505 ' CH2' HG21 ' A' ' 17' ' ' THR . 38.3 m0 -71.06 -23.44 62.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.0 mtp-105 -70.08 -43.87 70.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -56.49 -62.0 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 t -129.09 126.96 40.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 4.9 tp -50.32 -37.11 35.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -45.15 -55.96 5.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -44.84 -27.14 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.508 HD21 ' CG ' ' A' ' 42' ' ' PHE . 17.0 tp -79.9 -48.71 13.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.7 mt -63.93 -41.24 97.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -63.93 -36.58 84.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.472 ' O ' ' C ' ' A' ' 36' ' ' ASN . 3.3 t-20 -78.37 97.8 5.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.472 ' C ' ' O ' ' A' ' 35' ' ' ASN . 0.8 OUTLIER -32.62 -54.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.38 -51.74 63.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.57 -49.08 82.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.8 tp -55.08 -61.23 2.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.21 -59.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.095 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -59.25 -44.4 92.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.508 ' CG ' HD21 ' A' ' 32' ' ' LEU . 22.8 t80 -51.44 -43.47 62.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -59.38 -62.94 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 t -41.26 -46.72 3.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -51.17 -41.15 59.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.792 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 49' ' ' GLU . 89.3 mt -67.53 -54.62 18.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.406 ' HG3' ' CD ' ' A' ' 52' ' ' GLU . 15.1 mtpp -39.87 -34.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.0 t -79.11 -36.39 40.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.543 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 5.1 mm-40 -91.21 17.54 8.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 27.9 p90 45.65 31.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.7 m -120.5 27.77 8.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' CD ' ' HG3' ' A' ' 47' ' ' LYS . 7.0 tt0 -71.84 -24.09 61.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 91' ' ' LYS . 4.3 pt-20 -60.93 -31.15 70.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.489 ' ND2' HD23 ' A' ' 125' ' ' LEU . 3.2 m-20 -59.1 -52.44 65.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.475 HD12 ' CD2' ' A' ' 42' ' ' PHE . 1.3 tt -66.08 -43.9 86.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -45.54 -55.77 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -50.22 -34.97 24.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 59.9 t90 -69.3 -61.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.468 ' CD1' HD21 ' A' ' 55' ' ' LEU . 22.7 mt -46.46 -45.01 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.33 -51.05 69.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 44.4 m -43.92 -52.84 6.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.85 -44.23 97.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.05 -20.2 65.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.556 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -85.25 -34.73 21.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -63.78 -32.13 73.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -83.58 19.89 1.51 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.481 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 42.3 mt -93.95 114.65 31.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.21 -21.6 19.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 m -60.63 133.37 91.55 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.682 0.753 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -34.57 14.45 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -82.54 -36.95 25.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.481 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -67.96 -48.24 66.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.2 mtp -47.5 -37.66 12.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.87 -58.25 2.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 4.8 mm-40 -51.09 -59.52 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -47.98 -43.85 29.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.16 -51.8 23.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.048 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 8.1 ptmt -60.04 -39.73 86.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.47 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 20.9 mt-30 -52.89 -57.6 9.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.9 mt -55.05 -26.9 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.604 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -79.2 -45.71 19.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.473 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.6 mt-10 -66.15 -8.66 25.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 14.3 tt0 -105.45 -52.15 2.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.424 ' C ' ' H ' ' A' ' 86' ' ' GLN . 76.3 m-85 -100.82 -54.2 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.548 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.61 28.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -106.92 151.15 25.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.465 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 19.5 m -62.95 125.97 25.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 52.94 27.98 6.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -53.82 159.37 2.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.571 0.7 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 -28.82 25.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.609 2.206 . . . . 0.0 112.43 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 53' ' ' GLU . 8.1 mtpp -123.63 17.65 9.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -41.26 96.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.1 m -55.23 178.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -94.35 98.83 11.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.5 pt -146.52 113.25 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -53.01 154.64 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.803 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -44.4 -34.78 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.804 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -50.77 -70.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 63.4 m -62.83 -43.73 98.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.178 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.05 -49.58 40.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.22 -45.19 91.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.3 mm -43.6 -64.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 94.4 m -42.14 -51.95 4.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.3 mtp -47.82 -55.38 9.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -61.9 -21.68 64.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -91.08 7.04 42.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.529 HD13 ' CD2' ' A' ' 81' ' ' TYR . 40.9 mt -92.3 -2.69 56.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.967 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.409 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 14.5 t -78.37 -59.18 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 2.8 mm-40 -121.18 50.14 1.98 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.7 Cg_endo -69.74 133.03 24.62 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.1 m -127.65 -69.17 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.8 mt -133.08 -44.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 92.0 p -88.2 21.64 2.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.793 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.4 p -57.17 -40.16 76.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.408 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 98.5 m-85 -111.99 43.23 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -49.24 35.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 7.0 tpp -69.02 -56.64 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.36 -46.55 66.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.408 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 39.0 tt0 -57.21 -56.62 19.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -63.72 -29.62 70.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.407 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -64.38 -51.44 63.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 10.9 mm -71.04 -43.12 76.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -54.93 -36.84 65.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.19 -23.83 61.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.489 HD23 ' ND2' ' A' ' 54' ' ' ASN . 0.8 OUTLIER -80.17 -40.41 27.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.953 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 37.6 mtm -74.29 -10.94 60.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.422 ' HA ' ' CB ' ' A' ' 131' ' ' LEU . 3.8 pt-20 -99.86 -21.84 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -109.74 -9.31 14.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -115.81 -65.09 1.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 134' ' ' PHE . 44.8 m -71.87 -57.41 4.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.555 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.8 tp -37.75 -55.95 1.96 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.595 0.712 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.2 Cg_endo -69.87 -21.05 33.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.294 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 130' ' ' SER . 60.7 mtt180 -94.31 -12.93 27.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 130' ' ' SER . 23.4 t80 -88.59 -29.5 19.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.519 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 30.5 m -68.13 -34.03 64.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -75.85 -27.57 57.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 138' ' ' GLU . 28.4 p -73.11 138.17 45.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 140' ' ' TYR . 0.8 OUTLIER -37.06 -52.8 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.504 ' C ' ' O ' ' A' ' 138' ' ' GLU . 63.8 m-85 -29.07 -40.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.519 ' CG ' ' HA ' ' A' ' 135' ' ' VAL . 53.3 t80 -83.49 -48.47 10.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 138' ' ' GLU . 76.3 mm-40 -48.15 -32.25 6.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -79.11 -25.18 43.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 140' ' ' TYR . 33.2 mt -73.98 -32.86 63.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.471 HG13 ' N ' ' A' ' 145' ' ' SER . 29.7 pt -104.6 -43.5 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.471 ' N ' HG13 ' A' ' 144' ' ' ILE . 1.5 m -103.75 40.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -59.36 -143.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 -1.4 8.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.319 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 32.7 t -115.64 157.25 24.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 74.3 m -87.09 172.87 9.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t -128.77 137.7 51.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.84 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 t -122.3 107.96 12.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.91 -178.93 32.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 m -117.2 117.72 30.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.91 0.386 . . . . 0.0 110.813 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.4 t -111.18 107.91 17.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.59 -81.3 0.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 160.25 50.42 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.601 2.201 . . . . 0.0 112.338 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -82.6 169.45 16.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -48.44 158.31 0.62 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.576 0.703 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 85.56 0.61 Allowed 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.652 2.235 . . . . 0.0 112.388 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.59 -175.45 3.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.1 pttt -84.78 42.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -93.53 142.54 27.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -113.04 40.15 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -110.66 163.2 13.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.2 m -141.33 130.12 22.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.24 154.53 24.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.417 HD11 ' C ' ' A' ' 19' ' ' LEU . 0.7 OUTLIER -55.49 -60.28 3.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -54.69 -14.63 1.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 24' ' ' GLN . 18.1 tt0 -86.54 -59.08 2.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.59 -35.2 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.169 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -69.84 -38.03 76.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 21' ' ' GLU . 33.9 mt-30 -55.89 -22.03 23.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 48.3 m0 -71.45 -21.33 61.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -78.49 -41.64 31.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -55.06 -57.84 10.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -134.27 122.71 23.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 tp -44.63 -45.92 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 31' ' ' LYS . 11.1 t0 -36.7 -64.36 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 30' ' ' ASP . 16.7 mmtm -35.46 -43.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.44 HD23 ' CG ' ' A' ' 42' ' ' PHE . 26.1 tp -62.73 -66.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.436 HD22 ' CD2' ' A' ' 42' ' ' PHE . 57.8 mt -47.78 -46.64 30.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -55.57 -44.58 76.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -72.35 127.75 33.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -58.79 -45.61 89.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.401 ' CE2' ' CD2' ' A' ' 143' ' ' LEU . 2.0 t80 -61.12 -54.48 44.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.39 -46.75 93.74 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.433 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.418 ' CD1' HD23 ' A' ' 33' ' ' LEU . 29.5 tp -55.06 -61.63 2.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.21 -60.29 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.032 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -57.96 -46.85 84.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.525 ' CD2' HD11 ' A' ' 55' ' ' LEU . 28.5 t80 -49.22 -46.37 45.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -58.72 -62.62 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 t -41.66 -41.66 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.448 ' CE2' ' HA ' ' A' ' 134' ' ' PHE . 44.4 t80 -59.44 -49.91 75.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 74.6 mt -55.06 -46.11 75.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -51.15 -52.63 42.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.0 t -60.46 -30.99 70.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.43 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 39.7 mm-40 -88.64 -12.88 41.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 46' ' ' LEU . 24.4 m-85 72.04 34.7 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.815 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.2 m -130.89 37.04 3.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -76.54 -22.61 54.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -57.36 -32.78 67.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.478 ' ND2' HD22 ' A' ' 125' ' ' LEU . 2.5 m-20 -59.7 -52.53 65.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.525 HD11 ' CD2' ' A' ' 42' ' ' PHE . 1.2 tt -63.84 -46.8 83.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -41.75 -57.73 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -49.24 -36.25 19.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -68.12 -60.64 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.402 ' CD1' HD21 ' A' ' 55' ' ' LEU . 27.4 mt -47.59 -46.38 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.4 -46.86 86.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.7 m -51.99 -56.15 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.04 -36.94 78.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -69.51 -34.09 73.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.543 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -64.66 -36.15 83.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.8 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.6 mttt -61.51 -30.1 70.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -67.66 -2.63 7.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.946 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.488 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 57.4 mt -88.56 130.35 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.35 -25.21 8.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -53.21 139.8 44.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.656 0.741 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -15.45 37.34 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.9 -60.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.488 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -49.34 -40.41 35.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.6 mtp -57.0 -33.88 67.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.46 -53.08 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.458 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . 9.5 mt-10 -57.98 -58.1 9.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 27.2 tptt -49.92 -33.06 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.81 -44.54 90.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.087 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.458 ' CE ' ' HA ' ' A' ' 75' ' ' GLU . 1.7 ptpt -69.33 -38.0 77.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -52.93 -50.88 63.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.8 mt -64.01 -29.13 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.604 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -74.81 -45.79 41.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.461 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 4.9 mm-40 -66.11 -8.54 24.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 18.1 tt0 -104.84 -53.38 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.432 ' C ' ' H ' ' A' ' 86' ' ' GLN . 67.6 m-85 -99.99 -53.63 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.535 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.21 25.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.489 ' HG3' ' N ' ' A' ' 87' ' ' THR . 0.0 OUTLIER -105.4 152.96 22.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.489 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 46.1 m -58.74 132.76 54.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 40.54 32.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -52.73 162.66 0.92 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 0.0 111.073 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -32.72 18.09 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.636 2.224 . . . . 0.0 112.366 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -124.02 19.54 9.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -45.87 97.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.1 m -51.82 -179.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -94.83 103.25 15.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -150.39 113.07 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -53.13 160.85 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -47.83 -35.67 10.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -51.71 -70.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 90.6 m -59.9 -51.61 68.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.55 -49.86 13.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.72 -46.76 81.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.5 mm -43.62 -66.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 88.7 m -39.44 -51.57 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.8 mtp -48.43 -57.05 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -60.1 -17.38 39.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -92.88 -3.37 54.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.524 HD13 ' CD2' ' A' ' 81' ' ' TYR . 92.9 mt -85.07 4.4 34.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.3 p -92.03 -42.94 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.618 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 38.5 mm-40 -130.8 43.53 1.14 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.615 0.721 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.6 Cg_endo -69.71 135.71 31.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.383 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.6 t -133.4 -67.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.1 mt -134.81 -38.9 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 51.2 p -95.74 24.16 5.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.1 m -53.85 -49.59 68.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.432 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 42.7 m-85 -102.83 38.81 1.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -64.17 -41.89 96.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 6.2 tpp -78.76 -59.59 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.41 -41.41 39.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.432 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 46.4 tt0 -60.94 -56.9 15.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -27.66 69.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -51.35 62.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 11.7 mm -69.93 -42.98 79.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -54.85 -35.86 64.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.87 -21.4 60.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.478 HD22 ' ND2' ' A' ' 54' ' ' ASN . 0.8 OUTLIER -84.81 -44.67 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.928 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.413 ' SD ' ' HA ' ' A' ' 55' ' ' LEU . 42.6 mtm -67.44 -10.87 55.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.479 ' HA ' ' CB ' ' A' ' 131' ' ' LEU . 5.0 pt-20 -98.52 -21.94 16.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.42 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -112.02 -5.32 14.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' A' ' 132' ' ' PRO . 16.7 t0 -115.43 -67.33 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 134' ' ' PHE . 22.5 p -75.56 -53.22 8.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.59 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.1 tp -39.79 -54.25 4.23 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.66 0.743 . . . . 0.0 110.962 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 52.7 Cg_endo -69.83 -19.8 35.32 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.672 2.248 . . . . 0.0 112.326 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.5 mmm180 -96.05 -14.08 23.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 130' ' ' SER . 20.2 t80 -87.65 -40.39 14.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.445 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 33.0 m -64.0 -23.45 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -71.75 -41.0 68.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 138' ' ' GLU . 53.4 p -69.27 135.37 50.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.786 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 139' ' ' PHE . 1.2 mt-10 -36.27 -36.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 138' ' ' GLU . 72.8 m-85 -34.55 -42.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.445 ' CB ' ' HA ' ' A' ' 135' ' ' VAL . 69.5 t80 -83.71 -43.39 15.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -52.94 -34.93 57.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -74.76 -17.12 60.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 140' ' ' TYR . 33.9 mt -80.5 -21.95 41.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 145' ' ' SER . 26.2 pt -110.48 -44.06 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.46 ' N ' HG13 ' A' ' 144' ' ' ILE . 2.3 m -87.76 -46.59 9.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.41 ' C ' ' H ' ' A' ' 148' ' ' SER . . . 48.01 -140.29 9.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 148' ' ' SER . 53.1 Cg_endo -69.82 9.46 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.649 2.233 . . . . 0.0 112.326 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 145' ' ' SER . 2.6 m -41.12 163.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 32.7 p -146.13 137.36 24.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.495 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 t 58.99 42.95 18.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.865 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.7 p -126.35 128.25 46.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.42 142.65 13.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m 53.98 45.55 27.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.399 . . . . 0.0 110.882 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.7 p -109.84 43.22 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.01 100.36 2.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 128.35 15.84 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.615 2.21 . . . . 0.0 112.376 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -55.85 172.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.429 ' C ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -113.38 145.68 33.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.52 0.676 . . . . 0.0 110.902 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 170.67 15.93 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -168.61 137.53 2.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.006 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.62 143.25 23.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.2 t -70.84 159.14 35.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.169 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -133.36 175.1 9.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -153.94 177.98 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.56 HG23 ' CZ2' ' A' ' 25' ' ' TRP . 99.4 m -136.24 138.18 41.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -90.78 159.87 16.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.794 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.457 ' CD1' HD13 ' A' ' 23' ' ' LEU . 1.2 tm? -58.75 -56.34 23.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -53.03 -22.37 5.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 24' ' ' GLN . 3.8 tp10 -81.72 -58.48 2.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -38.53 -35.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.116 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.457 HD13 ' CD1' ' A' ' 19' ' ' LEU . 2.3 mt -71.69 -39.72 70.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 21' ' ' GLU . 24.1 mt-30 -55.95 -21.89 23.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.56 ' CZ2' HG23 ' A' ' 17' ' ' THR . 45.2 m0 -69.64 -18.69 63.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -79.34 -36.68 39.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -53.19 -58.67 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.2 t -135.46 136.41 41.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.82 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.5 tp -53.3 -42.33 66.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' LYS . 4.7 m-20 -46.06 -61.75 1.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.2 mtpm? -36.41 -41.89 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.403 HD11 ' CD2' ' A' ' 25' ' ' TRP . 30.6 tp -66.34 -63.72 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.1 mt -48.15 -50.41 28.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -50.59 -45.64 57.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.19 124.62 25.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -57.2 -46.94 82.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.48 -57.14 14.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.958 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.2 -40.41 95.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.2 tp -61.34 -63.11 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -40.33 -52.23 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.9 m -65.63 -45.74 81.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.768 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.431 ' CD2' HD11 ' A' ' 55' ' ' LEU . 18.8 t80 -50.74 -43.79 58.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -61.07 -64.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 t -38.94 -46.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.808 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.535 ' CZ ' ' HG3' ' A' ' 49' ' ' GLU . 29.3 t80 -54.3 -46.76 72.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 51.9 mt -57.5 -46.07 84.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -45.89 -53.83 9.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.8 t -62.62 -42.45 99.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.816 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.535 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 13.2 mm-40 -73.81 -14.67 61.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' LEU . 22.3 m-85 69.4 35.56 2.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.5 m -131.19 36.61 3.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.839 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -76.2 -23.07 54.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.487 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 25.6 pm0 -56.7 -32.03 65.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.487 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 4.7 m-20 -61.76 -49.52 76.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -66.87 -51.27 57.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.413 ' CD ' ' HE2' ' A' ' 91' ' ' LYS . 13.6 mt-10 -39.09 -59.51 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -46.76 -34.25 5.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' LEU . 39.2 t90 -72.46 -63.74 1.09 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.419 HG13 ' CD2' ' A' ' 55' ' ' LEU . 44.9 mt -44.34 -44.86 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.86 -54.31 48.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.144 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 51.9 m -42.59 -55.53 3.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -55.4 -41.25 72.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.84 -16.99 64.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.565 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -88.62 -27.25 21.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.003 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -68.79 -34.04 74.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -78.68 12.53 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.492 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 26.5 mt -90.24 113.83 26.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 69' ' ' SER . 2.8 pptp? -94.33 -32.4 13.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.405 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 3.1 m -49.62 134.16 19.31 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.66 0.743 . . . . 0.0 110.864 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.64 -29.01 25.15 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.696 2.264 . . . . 0.0 112.388 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.83 -45.4 12.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.492 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 2.8 tptm -60.4 -52.1 66.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.412 ' O ' ' CE2' ' A' ' 64' ' ' TYR . 14.1 mtp -42.18 -39.63 2.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.04 -61.71 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.037 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -47.96 -56.21 8.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -51.09 -46.04 61.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.04 -48.13 16.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.14 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.481 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 4.1 pttp -62.73 -38.35 90.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.481 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 20.4 mt-30 -53.92 -51.46 63.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.9 mt -61.11 -29.61 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.604 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -76.58 -46.03 27.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.48 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 15.6 mt-10 -65.75 -8.28 20.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 20.6 tt0 -106.15 -52.15 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.413 ' C ' ' H ' ' A' ' 86' ' ' GLN . 62.9 m-85 -100.78 -54.03 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.563 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.2 mm -80.24 28.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.182 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -105.52 150.52 25.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.449 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 20.2 m -61.17 123.18 16.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 53.45 27.51 6.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -50.69 161.4 0.65 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.54 0.686 . . . . 0.0 111.083 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -28.23 25.22 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.691 2.26 . . . . 0.0 112.306 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.413 ' HE2' ' CD ' ' A' ' 56' ' ' GLU . 8.7 mtpp -124.25 17.9 9.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.814 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -40.19 99.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.468 ' CG2' HD12 ' A' ' 95' ' ' ILE . 29.0 m -58.92 -179.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -94.92 99.59 11.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.468 HD12 ' CG2' ' A' ' 93' ' ' VAL . 1.0 OUTLIER -149.25 112.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -50.92 162.39 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -50.17 -38.69 40.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -48.39 -69.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.2 m -60.94 -52.38 65.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.173 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.64 -46.41 7.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -60.76 -44.26 96.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.491 HG13 ' CE ' ' A' ' 117' ' ' MET . 30.8 mm -43.72 -63.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.483 HG21 ' CE2' ' A' ' 115' ' ' PHE . 89.0 m -43.08 -52.22 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.0 mtp -48.8 -57.13 6.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -60.43 -13.57 14.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -97.31 -0.05 47.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.521 HD11 ' CD2' ' A' ' 81' ' ' TYR . 98.1 mt -88.24 3.39 49.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 109' ' ' GLU . 7.4 p -90.73 -40.87 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.615 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 6.1 mm-40 -133.93 43.95 1.13 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.652 0.739 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.78 125.59 12.31 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.627 2.218 . . . . 0.0 112.399 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.4 t -120.1 -67.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.6 mt -133.64 -45.28 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.1 p -90.63 24.01 2.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.435 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 6.1 p -53.37 -38.76 63.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.866 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.483 ' CE2' HG21 ' A' ' 103' ' ' THR . 69.1 m-85 -115.32 48.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -78.64 -50.23 11.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.491 ' CE ' HG13 ' A' ' 102' ' ' ILE . 0.5 OUTLIER -65.42 -59.42 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.93 -43.17 63.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.15 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.41 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 5.2 tp60 -58.63 -58.74 7.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -61.08 -26.79 67.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -53.06 37.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 8.0 mm -68.07 -46.45 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.403 ' ND1' ' C ' ' A' ' 123' ' ' HIS . 3.6 t-80 -52.47 -36.49 54.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' ' 128' ' ' LYS . . . -72.21 -22.74 61.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -84.44 -35.2 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 50.3 mtm -75.55 -9.04 58.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.469 ' HA ' ' CB ' ' A' ' 131' ' ' LEU . 3.3 pt-20 -96.76 -25.19 15.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 124' ' ' ALA . 2.7 pttp -112.65 -5.35 13.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.807 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 9.0 t0 -110.19 -67.17 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.878 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 133' ' ' ARG . 93.2 p -80.85 -54.91 5.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.609 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.1 tp -35.13 -53.04 1.17 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.6 Cg_endo -69.79 -27.89 25.77 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.298 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 130' ' ' SER . 19.1 mtp180 -87.42 -14.23 41.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 130' ' ' SER . 22.4 t80 -82.22 -52.69 6.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.437 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 32.5 m -53.74 -27.7 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.407 ' NH1' HG23 ' A' ' 135' ' ' VAL . 3.3 mmt-85 -68.15 -47.85 66.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 138' ' ' GLU . 54.3 p -61.65 135.48 57.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 139' ' ' PHE . 3.7 mm-40 -36.39 -35.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' A' ' 138' ' ' GLU . 44.5 m-85 -34.07 -42.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 143' ' ' LEU . 63.1 t80 -84.02 -49.27 9.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 145' ' ' SER . 85.7 mm-40 -44.72 -30.5 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 3.6 pt-20 -78.85 -32.25 45.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 140' ' ' TYR . 30.9 mt -64.32 -35.13 79.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 145' ' ' SER . 31.5 pt -97.46 -41.55 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 4.4 t -78.05 -55.27 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 47.91 -172.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -46.6 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.359 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 149' ' ' SER . 19.6 m -87.09 41.35 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 148' ' ' SER . 32.8 t 34.38 41.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.807 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 m -119.04 116.5 26.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.9 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -111.41 163.31 14.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.0 111.29 4.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.432 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -157.73 123.88 4.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 m -101.04 112.08 24.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.49 60.39 0.52 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.08 46.77 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.646 2.231 . . . . 0.0 112.311 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -136.59 155.28 50.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -165.76 129.74 1.69 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.569 0.699 . . . . 0.0 110.918 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -169.33 0.32 Allowed 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.67 2.247 . . . . 0.0 112.319 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.39 136.84 16.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.42 ' NZ ' ' HA ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -169.8 145.91 3.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.2 t -121.26 170.87 9.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -166.35 176.17 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -117.49 -178.14 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.572 HG22 ' CH2' ' A' ' 25' ' ' TRP . 51.9 m -118.02 149.23 41.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.458 ' N ' HG21 ' A' ' 17' ' ' THR . 1.1 t -108.13 161.08 15.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.423 ' C ' HD12 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -51.05 -62.87 1.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -52.19 -19.63 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 24' ' ' GLN . 2.7 tp10 -82.29 -57.97 3.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.59 -33.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -73.4 -38.56 65.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 21' ' ' GLU . 27.4 mt-30 -56.32 -19.54 14.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.572 ' CH2' HG22 ' A' ' 17' ' ' THR . 46.8 m0 -71.28 -19.61 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 26' ' ' ARG . 37.1 mtp180 -76.26 -40.58 51.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.23 -60.28 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.0 t -134.08 129.22 35.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.771 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 tp -48.83 -40.34 28.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -47.1 -57.45 5.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -41.76 -36.33 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.497 HD12 ' CD2' ' A' ' 25' ' ' TRP . 32.4 tp -71.07 -62.09 1.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.454 HD21 ' CD1' ' A' ' 39' ' ' LEU . 30.7 mt -50.33 -48.73 55.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.961 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -49.44 -47.63 48.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -73.21 133.8 44.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -59.81 -58.08 10.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.409 ' CE2' ' CD2' ' A' ' 143' ' ' LEU . 1.9 t80 -49.73 -52.56 30.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.436 ' CA ' HD13 ' A' ' 32' ' ' LEU . . . -60.11 -47.53 90.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.51 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.454 ' CD1' HD21 ' A' ' 33' ' ' LEU . 40.8 tp -58.26 -65.03 0.71 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.795 0.331 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.39 -52.49 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 t -62.1 -53.1 60.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -46.47 -44.68 17.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -55.72 -61.13 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -44.27 -46.66 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -51.89 -45.77 64.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 80.0 mt -65.03 -43.41 92.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -48.54 -53.81 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m -65.29 -41.24 94.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -73.45 -12.76 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' LEU . 30.5 m-85 68.9 36.16 2.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.9 m -130.98 35.31 3.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -75.29 -25.44 57.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 91' ' ' LYS . 4.0 pt-20 -54.16 -36.58 63.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.477 ' ND2' HD23 ' A' ' 125' ' ' LEU . 4.5 m-20 -57.75 -53.87 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.474 ' HB2' ' CD1' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -61.73 -51.03 70.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -39.22 -54.68 1.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -50.17 -35.71 27.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' LEU . 53.1 t90 -71.0 -60.12 2.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.409 HG13 ' CD2' ' A' ' 55' ' ' LEU . 36.1 mt -49.58 -46.88 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.83 -51.92 67.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.3 m -45.01 -64.08 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -48.03 -42.28 27.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -63.87 -25.81 68.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.599 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -82.52 -20.54 36.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.835 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -69.15 -34.08 74.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.843 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -81.09 19.36 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.915 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 22.1 mt -96.18 116.07 37.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.407 ' C ' ' HD3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -99.59 -35.73 9.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -43.78 135.01 3.77 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.667 0.746 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 -26.39 28.15 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.36 -37.3 14.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.468 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 2.7 tptm -68.66 -50.09 53.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.407 ' N ' HG22 ' A' ' 67' ' ' ILE . 8.8 mtp -46.93 -35.99 7.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.876 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.54 -59.35 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -50.94 -59.8 3.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.445 ' HG2' ' CD1' ' A' ' 67' ' ' ILE . 42.6 tptt -46.47 -46.73 19.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.06 -52.08 15.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.467 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -58.38 -38.31 77.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.467 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 55.8 mt-30 -54.01 -55.78 24.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 41.0 mt -57.64 -26.0 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.616 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -80.31 -43.56 21.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.462 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 9.2 mt-10 -67.89 -8.56 37.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 14.3 tt0 -105.78 -51.83 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.427 ' C ' ' H ' ' A' ' 86' ' ' GLN . 69.5 m-85 -100.56 -53.89 2.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.549 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.72 26.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -106.21 154.97 19.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.454 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 91.3 m -59.86 135.61 57.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 37.55 31.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.806 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -51.28 160.66 0.88 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.583 0.706 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -29.39 23.99 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.732 2.288 . . . . 0.0 112.391 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 53' ' ' GLU . 7.3 mtpp -123.97 17.61 9.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -41.25 100.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.8 m -57.93 179.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -94.24 94.44 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.3 pt -143.46 112.92 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -52.03 163.07 0.39 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -51.83 -38.82 57.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -49.39 -64.96 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 38.1 m -64.93 -48.39 74.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.144 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.18 -44.86 22.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -61.9 -45.44 93.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.802 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.7 mm -44.77 -64.4 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.525 HG22 ' CE2' ' A' ' 115' ' ' PHE . 84.8 m -41.16 -52.24 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.3 mtp -47.57 -56.47 7.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.84 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -60.2 -19.56 54.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -92.17 6.29 47.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 81' ' ' TYR . 40.4 mt -92.16 -1.99 56.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.0 t -77.41 -58.26 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 1.0 OUTLIER -124.19 50.69 3.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.73 . . . . 0.0 110.857 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.8 Cg_endo -69.75 132.02 22.47 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.727 2.285 . . . . 0.0 112.369 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.5 m -124.23 -71.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.4 mt -131.93 -44.32 0.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.9 m -91.69 22.89 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.435 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 2.6 p -58.54 -41.21 85.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.869 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.525 ' CE2' HG22 ' A' ' 103' ' ' THR . 90.8 m-85 -106.41 31.67 5.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -59.68 -54.33 47.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 4.1 tpp -62.64 -60.87 2.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.65 -39.9 18.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.039 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -65.87 -54.81 21.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -63.08 -27.89 69.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.437 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -66.15 -60.03 3.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 13.0 mm -61.21 -42.01 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.21 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -55.64 -37.1 67.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.12 -19.16 62.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.477 HD23 ' ND2' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -86.7 -55.76 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.0 mtm -58.5 -10.65 2.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.453 ' HA ' ' CB ' ' A' ' 131' ' ' LEU . 4.9 pt-20 -97.28 -26.1 15.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 -1.27 15.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.1 t70 -116.58 -66.67 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 133' ' ' ARG . 5.3 p -79.49 -52.41 8.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.61 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.5 tp -38.91 -52.72 3.71 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.621 0.724 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.7 Cg_endo -69.75 -22.25 32.41 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.595 2.197 . . . . 0.0 112.382 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 130' ' ' SER . 38.0 mmm-85 -93.2 -14.67 26.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.0 t80 -85.92 -33.41 21.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.515 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 34.2 m -70.78 -22.98 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 27.5 mmm-85 -75.25 -46.82 31.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 91.7 p -57.24 169.46 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 139' ' ' PHE . 1.6 tt0 -68.56 -39.91 80.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 138' ' ' GLU . 94.6 m-85 -36.92 -39.4 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.515 ' CG ' ' HA ' ' A' ' 135' ' ' VAL . 63.1 t80 -86.81 -56.14 3.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 145' ' ' SER . 90.7 mm-40 -42.4 -30.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 5.5 pt-20 -76.65 -34.87 58.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 140' ' ' TYR . 58.9 mt -53.15 -32.5 48.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.451 HD13 ' C ' ' A' ' 141' ' ' GLN . 0.2 OUTLIER -108.24 -34.12 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 41.5 t -69.81 -61.26 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 145' ' ' SER . . . 33.72 -151.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.448 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 84.87 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.682 2.254 . . . . 0.0 112.306 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 18.4 p -165.02 -179.44 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.81 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.49 174.12 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.428 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -74.94 136.98 41.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.795 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -112.6 99.79 8.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.56 -145.24 17.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.2 p -153.06 168.18 26.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.907 0.384 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 m -160.42 158.72 29.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.814 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.03 103.07 0.45 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.431 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 173.35 11.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -105.37 178.52 4.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -130.28 154.5 81.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.606 0.717 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 179.26 3.85 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.655 2.237 . . . . 0.0 112.306 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.39 -175.17 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.061 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -91.38 178.09 6.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.2 t -105.29 171.8 7.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -79.69 -177.61 5.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 mmtm -124.93 174.06 8.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.567 HG23 ' CH2' ' A' ' 25' ' ' TRP . 89.7 m -84.85 142.66 29.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.452 ' N ' HG22 ' A' ' 17' ' ' THR . 1.3 t -85.17 163.48 18.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.93 -55.86 22.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -57.48 -12.18 2.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 24' ' ' GLN . 4.5 tp10 -91.0 -59.14 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.558 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -38.8 -29.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 21' ' ' GLU . 2.0 mt -76.94 -41.09 44.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 21' ' ' GLU . 13.2 mt-30 -55.51 -15.81 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.968 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.567 ' CH2' HG23 ' A' ' 17' ' ' THR . 40.0 m0 -71.79 -23.03 61.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -72.81 -38.79 67.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.825 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -50.72 -59.16 4.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.5 t -135.32 138.51 43.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.5 tp -56.89 -30.09 63.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -56.06 -57.15 13.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' O ' ' CD1' ' A' ' 25' ' ' TRP . 12.1 mtpp -46.4 -25.71 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.8 tp -81.78 -59.13 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.428 HD23 ' CD1' ' A' ' 39' ' ' LEU . 44.9 mt -54.81 -47.14 74.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -53.15 -45.94 68.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -74.38 114.36 12.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -42.8 -59.32 2.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -45.72 -61.24 1.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -53.13 -50.0 53.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.428 ' CD1' HD23 ' A' ' 33' ' ' LEU . 25.0 tp -55.14 -63.96 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.32 -54.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.2 t -65.19 -38.25 89.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -58.06 -39.24 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HG2' ' CD1' ' A' ' 55' ' ' LEU . 35.7 mtpt -64.44 -63.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 t -39.77 -41.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.477 ' CD2' HD11 ' A' ' 46' ' ' LEU . 10.9 t80 -56.09 -49.92 72.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.477 HD11 ' CD2' ' A' ' 45' ' ' PHE . 7.1 mp -55.41 -49.08 73.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -44.0 -37.82 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.5 t -68.06 -36.57 80.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -91.96 -3.82 55.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 63.69 28.84 15.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.15 25.05 10.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 16.2 tt0 -65.57 -13.75 59.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.46 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 23.0 pm0 -66.63 -34.81 78.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.487 ' ND2' HD21 ' A' ' 125' ' ' LEU . 12.4 m-20 -59.51 -33.83 71.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD1' ' HG2' ' A' ' 43' ' ' LYS . 1.1 tt -79.51 -45.3 19.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -46.19 -52.1 13.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.403 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 18.1 t80 -52.74 -36.02 57.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -69.98 -62.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.465 ' CD1' HD23 ' A' ' 55' ' ' LEU . 38.2 mt -46.5 -42.74 5.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.094 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.78 -41.67 82.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 57' ' ' PHE . 33.8 m -56.74 -53.29 59.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.64 -32.14 71.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -72.76 -32.32 65.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.532 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -69.86 -29.15 66.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -64.78 -21.24 66.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -85.47 18.32 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.501 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 22.6 mt -105.07 132.9 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.46 -6.01 8.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 t -71.34 135.96 84.21 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -8.64 24.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.245 . . . . 0.0 112.381 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -104.96 -44.81 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.501 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 4.2 tptp -70.09 -46.74 64.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.48 ' HG3' ' CG2' ' A' ' 67' ' ' ILE . 11.3 mtp -49.03 -34.02 12.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.2 -58.39 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -54.31 -57.58 10.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HZ2' ' CD1' ' A' ' 80' ' ' ILE . 24.3 tptp -44.74 -37.99 4.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.52 -48.93 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -58.67 -34.35 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -61.87 -58.32 8.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.401 ' CD1' ' HZ2' ' A' ' 76' ' ' LYS . 31.2 mt -55.79 -25.14 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.127 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.613 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -82.2 -44.16 16.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 6.5 mm-40 -67.2 -8.38 30.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 15.6 tt0 -105.36 -53.1 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.428 ' C ' ' H ' ' A' ' 86' ' ' GLN . 65.6 m-85 -99.63 -53.51 3.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.544 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.56 25.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.195 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -106.17 152.74 23.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' ALA . 31.7 m -57.11 137.14 56.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 87' ' ' THR . 13.3 pt-20 35.88 31.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -49.18 160.91 0.48 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.699 . . . . 0.0 111.132 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -32.73 18.06 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.688 2.258 . . . . 0.0 112.346 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 92' ' ' GLU . 9.6 mtpp -122.64 11.86 9.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 91' ' ' LYS . 58.6 tt0 -35.2 105.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 36.0 m -58.93 -176.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -97.38 92.19 5.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.2 pt -139.78 113.86 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -53.35 155.49 2.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.966 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -45.44 -34.92 3.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -52.07 -70.78 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 56.2 m -59.26 -49.26 78.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.49 -48.06 19.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.22 -43.67 92.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 24.6 mm -46.9 -63.63 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 95.0 m -42.14 -51.84 4.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mtp -45.77 -53.44 9.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -62.82 -21.99 66.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -89.64 6.91 39.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.803 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.586 HD11 ' CD2' ' A' ' 81' ' ' TYR . 23.3 mt -92.44 -3.29 55.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.7 t -77.49 -58.72 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 1.6 pt-20 -122.72 51.22 3.26 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.682 0.753 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.78 137.08 34.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.3 t -132.63 -70.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.775 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.5 mt -132.5 -45.26 0.9 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.6 p -88.57 20.76 3.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 p -57.67 -49.02 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -99.53 29.14 4.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -58.26 -54.72 43.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 3.4 tpp -63.65 -63.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -45.13 -42.39 8.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -63.46 -54.54 34.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -63.8 -25.12 68.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.453 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -71.07 -49.81 40.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.1 mm -72.69 -42.57 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -54.31 -39.45 67.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.83 -22.86 62.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.487 HD21 ' ND2' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -81.03 -38.15 27.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 44.9 mtm -76.04 -11.13 59.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.425 ' HA ' ' CB ' ' A' ' 131' ' ' LEU . 4.1 pt-20 -99.45 -21.6 15.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -109.35 -10.36 14.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.503 ' O ' ' CG ' ' A' ' 133' ' ' ARG . 7.7 t70 -113.54 -65.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 133' ' ' ARG . 40.7 m -73.01 -59.69 2.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.558 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 4.2 tp -34.11 -56.09 0.76 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.2 Cg_endo -69.75 -26.45 27.62 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.266 . . . . 0.0 112.275 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 130' ' ' SER . 15.4 mmm180 -88.26 -12.82 42.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 130' ' ' SER . 14.4 t80 -86.53 -38.14 17.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.459 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 27.6 m -67.11 -15.48 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 22.8 mmm-85 -82.57 -38.64 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 75.2 p -71.71 138.84 48.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 140' ' ' TYR . 0.8 OUTLIER -38.56 -43.64 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.472 ' C ' ' O ' ' A' ' 138' ' ' GLU . 86.9 m-85 -32.19 -37.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 143' ' ' LEU . 73.1 t80 -87.96 -53.58 4.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.049 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' A' ' 145' ' ' SER . 57.5 mm-40 -40.94 -40.45 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -34.5 76.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 140' ' ' TYR . 83.6 mt -52.56 -21.54 3.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.449 HG12 ' N ' ' A' ' 145' ' ' SER . 0.1 OUTLIER -121.33 -35.87 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.029 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.459 ' HB2' ' O ' ' A' ' 141' ' ' GLN . 3.7 m -77.94 -15.78 58.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -74.46 -158.89 6.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.551 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 95.49 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.736 2.291 . . . . 0.0 112.332 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.2 t -170.23 149.28 3.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 72.1 m -92.82 130.33 38.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.514 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -141.91 159.96 41.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.86 0.362 . . . . 0.0 110.8 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 t -156.36 154.01 29.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.67 131.19 2.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 p -63.37 122.8 17.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.901 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 t -74.89 124.47 26.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.46 82.58 0.84 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.548 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 151.71 69.33 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.622 2.215 . . . . 0.0 112.361 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -159.64 116.33 2.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -119.15 139.14 27.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.59 0.709 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -168.71 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.339 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.25 -62.2 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.74 156.89 17.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.97 -176.99 3.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.212 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.442 ' OE1' ' N ' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -73.69 147.12 43.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.953 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' N ' ' OE1' ' A' ' 15' ' ' GLN . 32.3 mmtp -83.07 141.15 32.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.567 HG22 ' CH2' ' A' ' 25' ' ' TRP . 83.4 m -43.81 139.86 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.454 ' N ' HG21 ' A' ' 17' ' ' THR . 1.7 m -101.09 155.64 17.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.429 HD13 ' C ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -47.1 -62.92 1.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -51.39 -16.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 24' ' ' GLN . 10.8 tt0 -85.5 -58.36 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.559 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -41.09 -32.37 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mt -74.22 -37.48 63.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' GLU . 12.4 mt-30 -55.12 -19.59 7.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.567 ' CH2' HG22 ' A' ' 17' ' ' THR . 34.4 m0 -74.43 -23.47 58.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -71.06 -41.86 70.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -54.73 -57.84 9.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -135.3 137.59 42.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.0 tp -56.75 -45.67 81.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -38.38 -59.61 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' C ' ' HG2' ' A' ' 34' ' ' GLN . 14.2 mmtm -40.17 -37.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.52 HD22 ' CG ' ' A' ' 42' ' ' PHE . 27.0 tp -67.75 -66.78 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.2 mt -45.41 -52.55 9.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.455 ' HG2' ' C ' ' A' ' 31' ' ' LYS . 6.6 pt20 -50.74 -34.87 28.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.444 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 3.1 t-20 -82.01 132.43 35.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.47 ' CG ' ' N ' ' A' ' 37' ' ' TYR . 4.9 p30 -60.02 -54.58 44.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.47 ' N ' ' CG ' ' A' ' 36' ' ' ASN . 1.8 t80 -58.45 -54.2 49.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.89 -42.17 85.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.472 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.5 tp -62.6 -63.33 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.66 -57.03 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.0 p -60.84 -35.61 77.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.52 ' CG ' HD22 ' A' ' 32' ' ' LEU . 22.0 t80 -61.65 -40.06 93.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.838 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HG2' ' CD1' ' A' ' 55' ' ' LEU . 34.3 mtpt -62.71 -62.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' LYS . 2.6 t -37.89 -55.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -44.56 -46.07 9.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.421 ' HB3' ' C ' ' A' ' 51' ' ' SER . 87.1 mt -65.39 -51.66 58.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -42.01 -42.13 2.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.4 t -75.77 -36.78 59.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.531 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 4.7 mm-40 -87.94 16.84 5.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.531 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 50.1 p90 45.68 29.72 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.421 ' C ' ' HB3' ' A' ' 46' ' ' LEU . 47.4 m -116.76 25.1 10.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.791 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -71.11 -23.55 62.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 9.6 pm0 -61.65 -29.13 69.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.46 ' ND2' HD22 ' A' ' 125' ' ' LEU . 2.1 m-20 -61.03 -51.27 69.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.438 ' CD1' ' HG2' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -66.22 -49.04 68.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.945 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -39.6 -59.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -46.3 -33.46 3.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.418 ' CD1' ' NE2' ' A' ' 119' ' ' GLN . 28.3 t90 -73.25 -65.6 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.406 HG13 ' CD2' ' A' ' 55' ' ' LEU . 50.3 mt -45.3 -42.85 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.14 -53.89 51.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.052 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 55.8 m -44.72 -60.83 1.83 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -48.93 -41.77 34.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -65.96 -23.29 66.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -83.43 -19.14 36.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.973 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -72.24 -33.39 67.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -81.44 19.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 10.5 mt -98.26 112.54 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -95.69 -32.45 12.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.809 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.415 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 2.1 m -46.76 133.33 8.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.656 0.741 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -24.56 29.27 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.503 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -91.58 -36.32 13.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.084 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.468 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -70.92 -47.78 57.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.837 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.6 mtp -48.99 -37.04 19.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.26 -54.79 3.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 5.0 mm-40 -54.57 -59.26 4.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 28.5 tptt -46.94 -42.8 18.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.69 -49.4 57.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.057 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.7 pttp -59.24 -34.04 71.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -60.47 -58.38 8.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.6 mt -53.7 -32.93 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.616 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -75.93 -44.02 42.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.476 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 6.3 mm-40 -67.04 -8.76 32.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 16.9 tt0 -105.47 -51.08 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.439 ' C ' ' H ' ' A' ' 86' ' ' GLN . 68.0 m-85 -101.91 -54.72 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.561 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.3 mm -78.84 26.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -104.83 152.2 22.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.483 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 84.0 m -58.34 126.18 26.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.181 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 46.22 30.21 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -50.43 162.11 0.56 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.614 0.721 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -29.47 23.99 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.756 2.304 . . . . 0.0 112.319 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -123.82 16.98 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -41.41 100.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 23.4 m -57.99 -175.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -98.42 98.44 9.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.2 pt -145.72 112.84 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -52.58 160.39 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -48.58 -38.52 20.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -48.46 -70.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.8 m -60.3 -53.56 56.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.37 -47.15 6.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.975 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.4 -44.46 95.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.2 mm -46.29 -63.73 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.7 m -41.58 -51.15 4.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.5 mtp -48.01 -55.39 10.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -61.66 -14.42 30.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -95.94 0.32 51.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' A' ' 81' ' ' TYR . 92.3 mt -89.21 2.86 53.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.6 p -89.29 -41.42 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 50.6 mt-10 -134.38 44.94 1.32 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.661 0.743 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.6 Cg_endo -69.74 132.36 23.2 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.708 2.272 . . . . 0.0 112.381 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -127.08 -67.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.0 mt -133.58 -45.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.4 p -92.87 25.11 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 4.2 p -56.81 -42.02 78.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -107.02 38.53 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.77 -60.09 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 6.9 tpp -57.18 -59.52 4.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.13 -44.15 42.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.064 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.418 ' NE2' ' CD1' ' A' ' 58' ' ' TRP . 5.6 tp60 -60.64 -56.66 18.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -63.03 -26.85 69.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.457 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -66.76 -56.69 9.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 11.3 mm -64.68 -43.22 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -53.52 -38.66 63.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.783 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.41 -23.22 62.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.04 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.46 HD22 ' ND2' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -82.55 -41.5 19.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.423 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 44.1 mtm -72.66 -11.44 60.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 131' ' ' LEU . 4.4 pt-20 -98.5 -24.12 15.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.423 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -111.01 -4.35 15.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 29.8 t70 -115.71 -65.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 134' ' ' PHE . 20.1 m -77.18 -57.44 3.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.596 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 4.6 tp -35.55 -53.85 1.3 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.584 0.707 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.9 Cg_endo -69.77 -26.36 27.59 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 130' ' ' SER . 79.1 mtt180 -90.73 -12.71 35.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.3 t80 -87.84 -30.35 20.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.437 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 28.9 m -71.67 -41.06 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 25.9 mtt85 -58.44 -44.88 89.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 59.7 p -60.04 160.06 8.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 139' ' ' PHE . 3.1 tt0 -62.36 -37.69 86.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 138' ' ' GLU . 79.7 m-85 -37.71 -37.49 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.451 ' O ' ' N ' ' A' ' 143' ' ' LEU . 62.7 t80 -89.72 -48.78 7.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 145' ' ' SER . 84.7 mm-40 -44.8 -30.77 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 4.1 pt-20 -76.49 -32.09 58.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.47 ' N ' ' HG3' ' A' ' 142' ' ' GLU . 69.6 mt -56.07 -31.36 63.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.478 HG12 ' N ' ' A' ' 145' ' ' SER . 0.2 OUTLIER -109.86 -36.32 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 179.781 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 37.5 t -61.04 -31.67 71.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -51.17 -179.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.451 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 108.42 2.07 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.397 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.1 t -171.72 175.16 4.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 69.0 m -102.18 131.22 48.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 3' ' ' SER . 63.6 p 39.86 42.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.888 0.375 . . . . 0.0 110.86 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 2' ' ' SER . 3.4 t -37.52 -52.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.48 144.64 17.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.543 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.0 p -126.11 133.95 51.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.371 . . . . 0.0 110.813 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -69.99 178.11 2.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.48 87.15 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -179.28 2.79 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.641 2.228 . . . . 0.0 112.35 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -143.43 174.85 10.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.799 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.7 151.6 73.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.709 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 154.73 67.26 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.249 . . . . 0.0 112.378 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' LYS . . . -121.95 -39.66 2.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' ALA . 27.3 pttt -34.47 146.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.5 t -129.2 172.71 11.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -56.15 -178.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -152.5 140.54 20.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.544 HG22 ' CH2' ' A' ' 25' ' ' TRP . 41.2 m -38.55 149.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -104.01 140.62 37.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.419 ' C ' HD12 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -42.33 -62.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.08 -28.68 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 24' ' ' GLN . 4.1 tt0 -78.23 -60.52 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -38.27 -32.49 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mt -73.15 -40.72 64.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.508 ' N ' ' O ' ' A' ' 21' ' ' GLU . 52.2 mt-30 -54.17 -21.25 8.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.981 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.544 ' CH2' HG22 ' A' ' 17' ' ' THR . 50.9 m0 -71.62 -23.57 61.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -70.8 -41.75 71.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -48.85 -60.33 2.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.8 m -135.18 149.53 49.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.483 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 12.9 tp -62.28 -49.34 76.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -41.93 -50.71 4.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -46.96 -36.81 8.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.0 tp -71.42 -66.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.441 HD22 ' CD1' ' A' ' 39' ' ' LEU . 30.6 mt -47.22 -48.76 24.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -43.18 -50.83 6.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -72.98 130.36 40.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -55.43 -57.41 12.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -50.58 -57.93 7.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.32 -45.56 74.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.441 ' CD1' HD22 ' A' ' 33' ' ' LEU . 35.0 tp -58.48 -61.64 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.34 . . . . 0.0 110.854 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.76 -50.28 5.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.7 p -64.4 -46.68 82.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.568 ' CD2' HD12 ' A' ' 55' ' ' LEU . 32.5 t80 -51.74 -51.81 53.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -49.62 -62.51 1.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.7 t -42.83 -52.12 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -44.83 -37.47 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.6 mp -75.04 -51.36 13.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -40.14 -40.39 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 t -71.19 -42.97 68.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.52 -6.93 55.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 64.15 36.2 9.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -129.77 32.06 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.828 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -68.93 -29.97 68.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -48.28 -37.55 16.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.456 ' C ' ' SD ' ' A' ' 126' ' ' MET . 4.3 m-20 -56.99 -37.85 72.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.568 HD12 ' CD2' ' A' ' 42' ' ' PHE . 1.3 tt -80.68 -44.08 19.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -45.05 -49.31 11.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -54.68 -37.94 66.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -66.73 -60.54 2.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.432 ' CD1' HD22 ' A' ' 55' ' ' LEU . 23.9 mt -48.49 -48.51 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.84 -46.33 78.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 98.7 m -48.08 -60.02 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -53.31 -42.46 66.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -65.07 -21.3 66.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.537 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.2 t80 -86.42 -28.53 23.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -66.83 -35.21 79.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -81.47 21.86 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.506 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 22.3 mt -95.76 108.27 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.58 -24.59 21.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -57.98 132.05 83.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.664 0.745 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -29.38 24.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.602 2.201 . . . . 0.0 112.4 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.422 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -84.88 -40.33 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.506 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -66.43 -50.32 63.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.3 mtp -43.92 -37.51 2.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.24 -57.93 2.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 4.1 mm-40 -51.8 -59.45 4.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -48.76 -43.45 37.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.34 -53.47 22.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.088 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 8.1 ptmt -57.7 -40.34 79.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.46 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 18.2 mt-30 -52.75 -54.58 31.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.4 mt -56.6 -30.38 31.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.612 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -77.32 -43.78 31.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.934 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.9 mt-10 -67.13 -8.55 31.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 19.6 tt0 -106.12 -52.16 2.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.423 ' C ' ' H ' ' A' ' 86' ' ' GLN . 68.3 m-85 -100.35 -54.19 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.556 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.2 mm -79.84 27.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -106.65 154.55 20.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.454 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 51.5 m -58.43 133.2 55.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 38.26 31.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -49.84 161.01 0.57 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.7 . . . . 0.0 111.064 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.9 -28.8 24.15 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.596 2.197 . . . . 0.0 112.311 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -125.18 17.83 8.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -43.07 98.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 29.3 m -54.89 -178.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -95.7 97.47 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.5 pt -146.55 111.68 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.17 163.33 0.23 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -51.57 -38.37 54.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -47.84 -69.68 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.2 m -60.54 -50.51 73.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.47 -49.61 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.96 -47.2 81.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.417 ' HA ' ' HD2' ' A' ' 105' ' ' LYS . 36.6 mm -42.64 -67.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.184 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.565 HG22 ' CE1' ' A' ' 115' ' ' PHE . 90.9 m -39.31 -52.33 2.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 5.1 mtp -44.08 -53.54 6.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.417 ' HD2' ' HA ' ' A' ' 102' ' ' ILE . 11.2 mttt -63.54 -25.45 68.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -85.33 2.78 42.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.585 HD13 ' CD2' ' A' ' 81' ' ' TYR . 35.1 mt -88.97 -4.74 58.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.0 t -77.26 -56.64 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.495 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 7.1 mt-10 -124.69 51.22 4.64 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.8 Cg_endo -69.75 135.15 29.75 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.726 2.284 . . . . 0.0 112.353 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.0 m -132.75 -66.9 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 33.0 mt -134.49 -45.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -91.08 23.11 3.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 p -59.28 -45.97 89.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.565 ' CE1' HG22 ' A' ' 103' ' ' THR . 97.9 m-85 -105.46 34.68 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.94 -57.32 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 2.1 tpp -60.43 -61.99 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.82 -42.28 35.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.047 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 26.9 tt0 -61.04 -56.29 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -63.86 -28.24 69.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.422 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.7 OUTLIER -64.72 -55.27 20.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 10.0 mm -65.28 -41.77 92.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.196 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -57.13 -37.57 72.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.64 -18.89 62.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.409 HD22 ' ND2' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -86.23 -50.06 7.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.456 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 32.8 mtm -65.37 -10.12 30.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.483 ' CB ' ' HB2' ' A' ' 29' ' ' LEU . 5.3 pt-20 -97.53 -24.38 15.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.43 -5.7 14.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 125' ' ' LEU . 10.9 t70 -112.4 -66.66 1.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 133' ' ' ARG . 16.5 m -77.83 -56.87 4.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.59 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 4.3 tp -34.62 -54.09 0.97 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.671 0.748 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 54.3 Cg_endo -69.7 -27.64 26.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.691 2.261 . . . . 0.0 112.388 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 130' ' ' SER . 33.3 mtp180 -88.88 -13.0 40.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.83 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 130' ' ' SER . 22.0 t80 -82.79 -42.93 17.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.448 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 31.4 m -59.89 -33.56 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -63.34 -49.19 74.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 80.6 p -53.5 173.41 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 139' ' ' PHE . 2.2 tt0 -71.76 -39.25 70.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 138' ' ' GLU . 98.5 m-85 -35.91 -40.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.448 ' CB ' ' HA ' ' A' ' 135' ' ' VAL . 54.3 t80 -82.98 -52.88 6.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 145' ' ' SER . 98.6 mm-40 -45.52 -32.81 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -79.81 -28.3 40.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 140' ' ' TYR . 40.7 mt -68.2 -36.32 79.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 145' ' ' SER . 27.0 pt -98.05 -42.78 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 1.4 t -80.15 -50.09 10.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 145' ' ' SER . . . 37.32 -146.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.424 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 150.25 67.96 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.275 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 5.7 t 61.73 42.67 10.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 37.5 p -66.42 177.24 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.457 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 p -123.99 84.37 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 m 62.0 43.3 9.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.24 161.46 39.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.458 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 6' ' ' SER . 40.8 m -155.82 175.25 14.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 0.0 110.871 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 5' ' ' SER . 29.0 p 36.12 44.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.819 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.435 ' N ' ' HD2' ' A' ' 8' ' ' PRO . . . -73.45 -61.13 3.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 7' ' ' GLY . 53.6 Cg_endo -69.8 170.97 15.37 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' A' ' 10' ' ' LYS . 6.4 tm-20 -139.41 164.33 30.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' O ' ' OE1' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -88.29 130.21 46.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.623 0.725 . . . . 0.0 110.85 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -165.41 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -146.8 179.46 7.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.078 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -138.47 173.68 11.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.0 t -173.11 173.75 3.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -53.66 156.67 2.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HD3' ' CE1' ' A' ' 37' ' ' TYR . 42.5 mttm -95.69 -75.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.565 HG22 ' CH2' ' A' ' 25' ' ' TRP . 1.7 m -156.04 143.87 19.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.182 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -106.85 150.33 26.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.417 HD11 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -47.4 -60.06 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -55.82 -13.18 1.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 24' ' ' GLN . 12.6 tt0 -87.69 -59.73 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HB1' ' CG2' ' A' ' 144' ' ' ILE . . . -40.43 -33.68 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mt -71.91 -38.2 69.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 21' ' ' GLU . 17.0 mt-30 -54.43 -23.81 17.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.565 ' CH2' HG22 ' A' ' 17' ' ' THR . 48.2 m0 -71.76 -23.56 61.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -70.97 -43.05 68.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -59.44 -54.71 43.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 m -134.9 137.91 43.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.1 tp -61.31 -42.36 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -39.14 -62.9 0.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.831 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' ASP . 15.0 mmtm -37.72 -44.21 0.7 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.501 ' CD1' ' CE3' ' A' ' 25' ' ' TRP . 29.2 tp -62.37 -62.67 1.59 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.94 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.567 HD13 ' CE3' ' A' ' 58' ' ' TRP . 90.7 mt -49.88 -44.05 49.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -56.86 -44.99 82.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -73.54 118.66 16.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -51.29 -50.76 58.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.421 ' CE1' ' HD3' ' A' ' 16' ' ' LYS . 3.0 t80 -56.78 -57.73 11.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.19 -45.09 74.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.414 ' CD1' HD22 ' A' ' 33' ' ' LEU . 37.6 tp -58.04 -63.6 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.347 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.19 -50.67 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 p -64.72 -45.34 86.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.5 ' CD2' HD12 ' A' ' 55' ' ' LEU . 27.1 t80 -52.74 -45.34 66.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -56.17 -62.79 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 t -42.06 -46.24 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 134' ' ' PHE . 43.8 t80 -53.07 -38.14 62.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.432 HD11 ' N ' ' A' ' 46' ' ' LEU . 10.9 mp -70.79 -50.54 34.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -41.33 -45.59 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -64.2 -39.96 95.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -81.69 -12.34 58.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 70.14 30.47 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.2 m -122.97 28.44 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.427 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 11.5 tt0 -66.67 -20.82 66.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.954 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.432 ' CB ' ' HB3' ' A' ' 91' ' ' LYS . 4.0 pt-20 -59.7 -33.06 71.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.479 ' ND2' HD23 ' A' ' 125' ' ' LEU . 2.7 m-20 -57.4 -44.58 84.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.5 HD12 ' CD2' ' A' ' 42' ' ' PHE . 1.1 tt -78.67 -48.25 15.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -40.33 -56.15 2.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 118' ' ' ALA . 24.9 t80 -50.76 -34.49 27.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.567 ' CE3' HD13 ' A' ' 33' ' ' LEU . 67.5 t90 -70.21 -58.78 3.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.409 HG13 ' CD2' ' A' ' 55' ' ' LEU . 36.4 mt -50.52 -47.38 27.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.55 -42.72 97.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.422 ' HB2' ' NE2' ' A' ' 119' ' ' GLN . 38.1 m -54.97 -51.54 65.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -63.78 -34.5 78.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -71.18 -34.68 71.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.798 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.598 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -67.36 -32.17 72.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 -179.786 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -65.84 -25.17 67.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -73.13 0.6 11.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.47 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 59.3 mt -89.44 138.26 19.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.418 ' N ' HG21 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -118.51 -24.56 6.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.818 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -56.67 139.78 75.77 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.705 0.764 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -24.19 30.1 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.698 2.266 . . . . 0.0 112.386 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.59 -54.88 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 3.6 tptm -55.61 -51.84 65.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 11.8 mtp -47.16 -31.18 3.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.832 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.43 -62.72 1.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.21 -58.77 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.818 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -44.72 -45.0 9.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.39 -50.6 59.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.481 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 3.6 pttp -57.84 -40.15 79.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.481 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 30.3 mt-30 -52.12 -55.79 18.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 24.8 mt -56.4 -30.12 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.6 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -75.75 -46.71 29.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.468 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.8 mt-10 -65.55 -8.37 19.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 10.2 tt0 -104.95 -53.35 2.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.436 ' C ' ' H ' ' A' ' 86' ' ' GLN . 72.4 m-85 -100.18 -53.95 3.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.546 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.01 26.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.503 ' HG2' ' CB ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -106.11 154.0 21.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.493 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 44.2 m -62.69 130.69 46.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 87' ' ' THR . 7.9 pt-20 46.01 27.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.503 ' CB ' ' HG2' ' A' ' 86' ' ' GLN . . . -51.88 162.1 0.83 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.584 0.707 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -29.17 24.23 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.396 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 93' ' ' VAL . 9.6 mtpp -124.54 20.19 8.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -41.88 91.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 91' ' ' LYS . 25.6 m -50.84 175.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -92.24 100.19 12.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.4 pt -148.8 113.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -52.52 162.05 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -50.47 -37.38 38.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -49.64 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.6 m -59.71 -50.07 75.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.083 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.69 -49.59 10.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.41 -47.23 84.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.4 mm -42.39 -66.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.543 HG22 ' CE2' ' A' ' 115' ' ' PHE . 99.1 m -40.72 -53.01 2.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.164 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.5 mtp -46.22 -56.59 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.4 mtpp -60.11 -18.82 50.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -92.64 6.53 47.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.545 HD13 ' CD2' ' A' ' 81' ' ' TYR . 37.4 mt -92.04 -1.79 57.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.425 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 15.3 t -79.34 -59.33 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.132 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.523 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 11.1 mt-10 -120.67 49.71 1.67 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.702 0.763 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.75 134.57 28.33 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.65 2.233 . . . . 0.0 112.365 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.2 t -126.55 -72.61 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 70.9 mt -133.45 -40.67 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 t -92.81 21.24 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.816 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 p -57.38 -48.04 80.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.543 ' CE2' HG22 ' A' ' 103' ' ' THR . 91.0 m-85 -101.86 41.93 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -56.14 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 2.2 tpp -59.48 -66.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 57' ' ' PHE . . . -45.91 -40.44 10.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 7.7 tt0 -61.32 -56.59 18.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -62.89 -30.96 71.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.492 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -62.8 -52.37 63.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.826 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 3.9 mm -66.01 -51.51 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.5 ' HA ' ' CE ' ' A' ' 126' ' ' MET . 9.4 t-80 -48.97 -43.34 39.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' ' 128' ' ' LYS . . . -62.37 -22.38 66.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.479 HD23 ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -86.93 -57.36 3.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.5 ' CE ' ' HA ' ' A' ' 123' ' ' HIS . 2.3 ptt? -58.85 -9.79 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.41 ' O ' ' HD3' ' A' ' 132' ' ' PRO . 4.0 pt-20 -96.6 -22.48 17.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 124' ' ' ALA . 23.6 pttt -109.12 -9.47 15.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -111.8 -65.36 1.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.54 ' O ' ' N ' ' A' ' 133' ' ' ARG . 16.7 m -73.47 -60.54 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.543 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 2.5 tp -33.0 -56.63 0.55 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.7 Cg_endo -69.72 -26.84 27.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.65 2.233 . . . . 0.0 112.403 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 130' ' ' SER . 80.8 mtt-85 -87.56 -12.43 45.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.57 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 11.9 t80 -85.2 -39.68 17.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.475 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 36.0 m -59.26 -35.34 57.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -66.51 -36.31 82.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 49.7 p -65.84 142.26 57.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.96 -38.47 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -39.62 -36.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.475 ' CG ' ' HA ' ' A' ' 135' ' ' VAL . 54.5 t80 -86.45 -47.24 9.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 145' ' ' SER . 72.1 mm-40 -48.85 -34.75 13.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -77.54 -24.59 49.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 48.9 mt -70.96 -32.43 69.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.432 ' CG2' ' HB1' ' A' ' 22' ' ' ALA . 23.9 pt -102.31 -40.96 7.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 23.0 t -65.35 -37.17 86.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -45.85 172.4 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 93.0 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.768 2.312 . . . . 0.0 112.317 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 34.8 t -174.39 114.47 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.4 p -110.19 178.17 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -144.88 114.34 7.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -121.41 171.39 8.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.03 -164.57 15.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.539 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 p -121.8 102.89 8.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.805 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 m -87.75 99.85 12.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.825 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.88 176.07 39.03 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.396 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 9' ' ' GLU . 53.5 Cg_endo -69.8 -175.2 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.727 2.284 . . . . 0.0 112.311 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 8' ' ' PRO . 16.6 mp0 -36.93 123.9 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.76 137.02 44.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.5 0.667 . . . . 0.0 110.985 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 170.74 15.9 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.22 77.76 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.068 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.79 -176.6 4.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.6 p -103.57 178.44 4.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.079 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.421 ' NE2' HD22 ' A' ' 36' ' ' ASN . 1.4 pp0? -161.99 177.22 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.419 ' HG2' ' C ' ' A' ' 15' ' ' GLN . 1.4 mmmp? -146.29 173.89 11.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.57 HG23 ' CH2' ' A' ' 25' ' ' TRP . 96.4 m -109.96 140.46 43.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -100.6 145.67 28.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.473 HD13 ' C ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -44.08 -63.09 0.94 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -44.57 -24.18 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 24' ' ' GLN . 7.0 tt0 -82.01 -60.19 2.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.0 -34.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 mt -71.56 -38.95 70.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 21' ' ' GLU . 21.5 mt-30 -56.08 -23.28 32.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.57 ' CH2' HG23 ' A' ' 17' ' ' THR . 48.5 m0 -69.62 -15.59 63.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 15.9 mtp-105 -80.5 -31.64 37.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -62.84 -58.89 5.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 t -135.66 127.13 28.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 tp -51.91 -30.97 26.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -54.27 -52.83 60.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.877 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HE2' ' O ' ' A' ' 24' ' ' GLN . 9.0 mtmm -52.75 -27.58 18.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.508 ' HA ' ' CD1' ' A' ' 25' ' ' TRP . 26.3 tp -78.34 -50.41 11.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.414 HD22 ' CD1' ' A' ' 39' ' ' LEU . 50.8 mt -60.26 -42.52 95.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -54.56 -45.84 73.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -71.94 117.76 13.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.421 HD22 ' NE2' ' A' ' 15' ' ' GLN . 3.4 p-10 -47.54 -54.12 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.446 ' CE2' ' CD2' ' A' ' 143' ' ' LEU . 2.4 t80 -51.77 -60.59 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.93 -50.51 50.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.489 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.414 ' CD1' HD22 ' A' ' 33' ' ' LEU . 24.0 tp -54.16 -62.14 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -40.18 -59.85 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.0 p -59.98 -41.2 91.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.485 ' CD2' HD13 ' A' ' 55' ' ' LEU . 23.6 t80 -55.77 -46.55 77.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 44' ' ' SER . 38.7 mtpt -55.01 -66.19 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' LYS . 11.9 t -38.13 -53.94 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -41.95 -45.74 3.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.817 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' GLU . 89.1 mt -63.28 -56.31 17.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.4 ' HG2' ' CD ' ' A' ' 52' ' ' GLU . 29.4 mtmt -39.6 -40.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.954 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -70.35 -39.24 74.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' LEU . 15.0 mm-40 -85.55 2.61 44.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 63.32 30.38 15.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.402 ' C ' ' HB3' ' A' ' 46' ' ' LEU . 19.8 m -124.91 30.29 5.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.786 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' CD ' ' HG2' ' A' ' 47' ' ' LYS . 2.8 tt0 -71.76 -22.2 61.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -61.64 -36.23 80.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.469 ' ND2' HD21 ' A' ' 125' ' ' LEU . 2.9 m-20 -52.2 -51.24 59.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.485 HD13 ' CD2' ' A' ' 42' ' ' PHE . 1.2 tt -66.73 -43.48 84.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -45.07 -58.4 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -48.3 -37.98 17.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -66.39 -60.43 2.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.478 ' CD1' HD23 ' A' ' 55' ' ' LEU . 38.2 mt -46.54 -43.73 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.56 92.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 62.1 m -48.4 -56.59 7.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -59.76 -40.3 87.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -66.15 -19.04 65.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.478 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 2.3 t80 -86.44 -34.4 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -60.57 -33.21 72.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -81.6 16.69 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.482 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 35.1 mt -97.85 112.33 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.11 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.78 -34.58 11.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 m -41.62 133.7 2.19 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.626 0.727 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -24.72 29.32 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.675 2.25 . . . . 0.0 112.369 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -94.3 -34.78 12.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.065 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.482 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 2.9 tptt -70.57 -46.66 63.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.3 mtp -49.92 -37.02 29.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.47 -56.51 3.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 17.8 mm-40 -52.99 -52.92 56.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.463 ' HG2' ' CD1' ' A' ' 67' ' ' ILE . 26.8 tptp -53.3 -45.47 68.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.75 -52.2 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -60.95 -35.54 77.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -59.53 -48.82 80.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.403 ' CG1' ' HZ3' ' A' ' 76' ' ' LYS . 52.7 mt -64.61 -32.2 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.072 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.627 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -74.55 -43.33 56.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.5 mm-40 -66.18 -8.6 25.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 16.2 tt0 -106.36 -52.38 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.436 ' C ' ' H ' ' A' ' 86' ' ' GLN . 60.6 m-85 -101.07 -55.14 2.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.58 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.2 mm -78.98 28.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -105.87 151.22 24.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.884 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.485 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 30.7 m -60.45 123.28 16.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 51.99 27.9 4.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -51.08 161.94 0.66 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.529 0.681 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 -31.4 20.57 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.668 2.245 . . . . 0.0 112.3 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -123.57 19.03 9.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.973 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -44.23 99.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.7 m -53.22 179.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -94.3 99.41 11.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.3 pt -145.54 111.31 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -48.63 157.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -47.28 -42.64 21.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -47.72 -63.22 1.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.4 m -65.79 -54.14 31.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.463 ' HE2' ' CG2' ' A' ' 85' ' ' ILE . 0.8 OUTLIER -43.24 -42.38 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.68 -44.49 86.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.3 mm -42.95 -64.2 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.2 m -42.02 -53.71 3.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.1 mtp -48.74 -55.51 11.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -61.25 -12.34 12.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -102.15 7.04 41.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.582 HD12 ' CD2' ' A' ' 81' ' ' TYR . 64.2 mt -91.33 2.64 56.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 p -84.41 -42.76 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.543 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 0.2 OUTLIER -134.84 48.25 2.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.567 0.699 . . . . 0.0 110.86 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.65 126.4 13.34 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -123.05 -67.84 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.9 mt -133.71 -43.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.7 m -87.82 19.61 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.3 m -47.18 -57.93 4.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.411 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 13.1 m-85 -101.96 40.61 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.815 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -64.65 -42.07 95.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 6.5 tpp -76.28 -57.26 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.97 -41.11 64.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.029 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.411 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 40.1 tt0 -61.64 -54.18 46.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.937 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -65.2 -31.1 72.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.509 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -64.14 -57.06 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.5 mm -62.33 -43.81 98.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -56.73 -37.65 71.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.37 -21.58 62.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.469 HD21 ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -83.01 -42.41 17.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 46.2 mtm -71.81 -10.61 60.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.816 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 131' ' ' LEU . 4.4 pt-20 -98.78 -24.75 14.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.45 -4.71 15.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 44.7 t0 -116.17 -65.29 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 134' ' ' PHE . 16.7 m -76.55 -56.83 4.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.58 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 6.8 tp -35.27 -54.58 1.13 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.647 0.737 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 54.0 Cg_endo -69.71 -25.82 28.44 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.62 2.213 . . . . 0.0 112.363 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 130' ' ' SER . 47.7 mtt180 -91.36 -12.5 34.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 130' ' ' SER . 29.3 t80 -85.45 -35.12 21.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.471 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 18.2 m -68.64 -32.36 54.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -67.5 -40.02 85.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.776 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 59.6 p -62.14 176.23 0.61 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 140' ' ' TYR . 1.6 tt0 -72.34 -42.74 65.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 138' ' ' GLU . 95.3 m-85 -35.3 -35.96 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.471 ' CG ' ' HA ' ' A' ' 135' ' ' VAL . 55.2 t80 -86.31 -49.14 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -48.99 -32.82 9.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -77.62 -25.27 49.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.446 ' CD2' ' CE2' ' A' ' 37' ' ' TYR . 41.4 mt -74.46 -37.73 63.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.476 HG13 ' N ' ' A' ' 145' ' ' SER . 34.1 pt -99.25 -42.72 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.049 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.476 ' N ' HG13 ' A' ' 144' ' ' ILE . 1.5 m -105.02 37.31 2.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -67.2 -146.54 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 84.05 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 38.5 m -57.84 160.39 4.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.8 p -175.03 140.08 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -84.41 -51.62 6.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.7 t -113.84 134.98 54.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.793 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.39 -166.57 24.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 m -159.47 116.99 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -168.81 151.18 4.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.821 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.45 111.76 0.51 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -172.44 0.57 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.712 2.275 . . . . 0.0 112.385 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -88.36 -177.81 5.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -121.71 154.29 60.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.665 0.745 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 -171.01 0.43 Allowed 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.625 2.217 . . . . 0.0 112.419 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.46 125.12 50.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 14' ' ' THR . 11.3 tptt -173.95 165.21 4.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.464 ' C ' ' O ' ' A' ' 13' ' ' LYS . 10.7 t -32.78 143.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -128.89 -42.14 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -127.81 -73.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.568 HG23 ' CH2' ' A' ' 25' ' ' TRP . 1.1 m -143.4 150.36 38.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -117.91 158.58 24.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.418 HD11 ' C ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -48.92 -60.18 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -56.0 -13.89 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 24' ' ' GLN . 8.5 tp10 -89.6 -57.76 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.46 -32.68 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -73.71 -39.81 64.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.962 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' GLU . 14.4 mt-30 -55.2 -21.14 12.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.568 ' CH2' HG23 ' A' ' 17' ' ' THR . 52.8 m0 -71.21 -23.23 61.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 12.6 mtp-105 -73.79 -35.36 64.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -55.64 -57.1 13.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.7 t -135.22 132.58 38.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.5 tp -52.21 -35.98 50.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.6 -60.51 3.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -39.19 -34.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.51 ' CD1' ' CE3' ' A' ' 25' ' ' TRP . 30.9 tp -72.64 -64.87 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.42 HD23 ' CD1' ' A' ' 39' ' ' LEU . 55.2 mt -48.95 -47.47 43.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -50.11 -47.3 54.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -72.83 127.29 32.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -56.77 -50.99 70.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.54 ' CE2' ' CD2' ' A' ' 143' ' ' LEU . 2.4 t80 -53.5 -57.62 10.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.415 ' CA ' ' CH2' ' A' ' 25' ' ' TRP . . . -59.18 -42.11 97.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.42 ' CD1' HD23 ' A' ' 33' ' ' LEU . 31.4 tp -61.43 -61.97 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.07 -49.54 6.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.046 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.8 m -68.31 -44.48 75.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.466 ' CD2' HD13 ' A' ' 55' ' ' LEU . 45.1 t80 -53.45 -40.98 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -62.94 -64.65 0.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.6 t -43.45 -38.03 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.801 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.459 ' CZ ' ' O ' ' A' ' 133' ' ' ARG . 26.2 t80 -58.59 -41.17 85.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.466 ' CD2' ' HA ' ' A' ' 52' ' ' GLU . 7.3 mp -68.32 -49.81 57.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.428 ' HG3' ' CD ' ' A' ' 52' ' ' GLU . 36.0 mtpt -39.81 -40.73 1.01 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.892 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.1 t -67.19 -42.8 83.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 46' ' ' LEU . 5.2 mm-40 -82.04 -3.92 55.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 62.23 30.48 17.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.7 m -122.34 30.25 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.466 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 13.4 tt0 -74.51 -22.5 59.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -53.08 -37.37 61.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.443 ' ND2' HD23 ' A' ' 125' ' ' LEU . 2.0 m-20 -57.65 -39.46 77.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.481 HD22 ' CD1' ' A' ' 59' ' ' ILE . 1.4 tt -73.52 -50.14 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -40.93 -53.32 2.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -50.73 -37.93 44.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 55.7 t90 -67.31 -60.09 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.481 ' CD1' HD22 ' A' ' 55' ' ' LEU . 22.9 mt -47.28 -45.33 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.81 -44.65 95.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.064 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 63.3 m -47.76 -56.88 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.816 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -56.8 -47.23 80.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.81 -21.36 60.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.512 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.5 t80 -83.77 -32.85 25.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.967 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -67.06 -34.92 78.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.8 24.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.492 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 34.3 mt -91.05 98.01 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 22.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -109.06 130.05 23.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.665 0.745 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -14.49 36.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.732 2.288 . . . . 0.0 112.328 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.0 -48.61 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.042 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.492 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -60.67 -42.4 97.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.453 ' HG3' ' CG2' ' A' ' 67' ' ' ILE . 5.1 mtp -49.4 -39.8 33.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.33 -57.84 2.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -49.85 -59.58 3.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 79' ' ' GLN . 27.7 tptt -47.58 -49.78 25.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -39.72 -50.47 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.96 -35.76 81.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 76' ' ' LYS . 49.8 mt-30 -57.93 -54.34 48.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.3 mt -58.62 -28.91 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.604 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -77.24 -46.63 22.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 14.7 mm-40 -65.94 -8.39 22.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 12.8 tt0 -104.83 -52.69 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.432 ' C ' ' H ' ' A' ' 86' ' ' GLN . 73.5 m-85 -100.84 -53.44 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.537 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.29 26.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -105.51 149.24 26.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.443 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 81.4 m -57.07 129.84 43.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 46.09 32.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -53.38 159.9 2.04 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.646 0.736 . . . . 0.0 111.08 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -31.56 20.03 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -123.39 17.37 9.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -42.19 101.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.4 m -58.93 177.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -91.44 100.6 13.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.51 112.91 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.55 164.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -52.05 -35.61 47.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -51.61 -70.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 29.3 m -59.15 -49.36 78.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.47 -51.92 14.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -56.96 -47.63 80.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.3 mm -42.82 -65.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.489 HG21 ' CE2' ' A' ' 115' ' ' PHE . 47.2 m -40.79 -55.16 2.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mtp -44.53 -56.84 3.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.864 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -59.99 -21.02 60.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -91.11 5.0 50.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.565 HD11 ' CD2' ' A' ' 81' ' ' TYR . 61.5 mt -90.49 -2.64 57.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.0 t -76.88 -57.99 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 1.7 pt-20 -124.93 51.02 4.6 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.623 0.725 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 52.8 Cg_endo -69.78 128.3 15.81 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.703 2.268 . . . . 0.0 112.321 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.8 m -123.51 -65.87 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.1 mt -134.73 -45.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 91.4 p -88.03 21.64 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.427 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 6.4 p -55.73 -44.04 77.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.489 ' CE2' HG21 ' A' ' 103' ' ' THR . 96.3 m-85 -111.31 37.07 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.04 -41.58 95.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 4.1 tpp -77.23 -58.29 3.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.04 -41.02 33.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -63.01 -57.81 9.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.7 pttp -60.4 -31.35 70.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.433 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -63.43 -53.44 52.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.1 mm -68.22 -49.56 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -50.19 -40.11 46.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' ' 128' ' ' LYS . . . -69.46 -27.43 65.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.043 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -80.45 -30.14 37.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 64.7 mtm -80.81 -9.24 59.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.424 ' O ' ' HD3' ' A' ' 132' ' ' PRO . 2.8 pt-20 -97.91 -24.6 15.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 124' ' ' ALA . 3.0 pttp -110.93 -6.94 14.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 7.0 t70 -112.38 -65.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 133' ' ' ARG . 16.1 m -76.91 -58.34 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.576 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 3.9 tp -34.06 -54.65 0.83 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.626 0.726 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.6 Cg_endo -69.78 -27.98 25.69 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.762 2.308 . . . . 0.0 112.31 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 130' ' ' SER . 71.4 mtt-85 -86.92 -13.55 44.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.467 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.4 t80 -84.34 -51.35 7.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.453 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 34.4 m -53.26 -25.6 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -70.59 -45.01 66.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 23.6 p -61.94 141.22 58.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.77 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 138' ' ' GLU . 0.2 OUTLIER -42.96 -36.94 1.71 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.91 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 138' ' ' GLU . 88.4 m-85 -37.28 -38.95 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.453 ' CB ' ' HA ' ' A' ' 135' ' ' VAL . 70.8 t80 -85.11 -48.23 9.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 145' ' ' SER . 99.0 mm-40 -50.27 -31.92 15.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -77.23 -28.4 53.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.54 ' CD2' ' CE2' ' A' ' 37' ' ' TYR . 23.6 mt -66.76 -34.29 77.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 145' ' ' SER . 29.4 pt -99.87 -40.6 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 19.7 t -67.38 -25.43 65.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -57.76 -153.47 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.505 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 88.41 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.719 2.279 . . . . 0.0 112.372 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 42.2 t -78.09 -61.15 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.897 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 150' ' ' GLY . 33.4 p -123.72 -39.63 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 149' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.562 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -77.03 89.6 3.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 m -40.66 -48.21 2.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.61 95.38 0.82 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.46 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t 68.21 41.71 1.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.353 . . . . 0.0 110.827 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 m -112.51 158.69 19.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.27 94.89 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -173.51 0.73 Allowed 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.685 2.257 . . . . 0.0 112.325 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -57.84 152.48 15.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -100.07 135.3 20.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.552 0.691 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.9 -174.05 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.61 2.207 . . . . 0.0 112.349 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.63 170.08 22.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -145.46 177.55 8.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.4 t -110.3 170.02 8.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -76.35 177.22 7.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -129.14 169.85 14.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.566 HG21 ' CH2' ' A' ' 25' ' ' TRP . 24.9 m -80.53 153.02 28.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -104.42 152.04 22.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.43 -52.27 47.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -60.8 -17.47 49.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 24' ' ' GLN . 9.3 tt0 -85.09 -58.35 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.53 -35.55 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.092 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mt -70.56 -37.35 73.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' GLU . 30.8 mt-30 -56.37 -23.46 37.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.566 ' CH2' HG21 ' A' ' 17' ' ' THR . 48.2 m0 -70.62 -16.57 62.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 11.4 mtp-105 -78.83 -37.72 39.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -54.12 -58.3 7.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.0 m -135.47 132.14 37.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.8 tp -49.43 -42.11 41.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -45.84 -62.98 1.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.792 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.42 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 4.2 mtpm? -36.25 -35.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.456 HD12 ' CD2' ' A' ' 25' ' ' TRP . 27.7 tp -74.16 -60.72 2.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.441 HD21 ' CD1' ' A' ' 39' ' ' LEU . 65.6 mt -51.22 -46.59 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -52.8 -45.88 67.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -71.76 125.38 27.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -55.79 -48.13 75.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -58.69 -57.94 10.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.87 -39.35 91.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.499 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.441 ' CD1' HD21 ' A' ' 33' ' ' LEU . 28.2 tp -64.14 -63.37 1.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 110.952 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.27 -51.92 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.2 m -67.14 -44.51 79.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.523 ' CD2' HD11 ' A' ' 55' ' ' LEU . 30.6 t80 -52.4 -46.83 66.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -54.23 -64.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.3 t -39.46 -52.66 2.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.542 ' CD2' HD11 ' A' ' 46' ' ' LEU . 10.7 t80 -44.03 -40.2 4.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.542 HD11 ' CD2' ' A' ' 45' ' ' PHE . 10.1 mp -75.23 -50.96 14.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -40.62 -41.83 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.0 t -69.33 -39.65 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 46' ' ' LEU . 5.0 mm-40 -79.44 -9.19 59.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 68.86 31.53 4.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.9 m -127.54 31.36 5.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.785 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -74.06 -23.55 59.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.486 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 8.6 pm0 -52.58 -35.65 54.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.486 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 12.9 m-20 -57.04 -41.62 78.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.523 HD11 ' CD2' ' A' ' 42' ' ' PHE . 1.1 tt -72.9 -44.01 61.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -45.99 -53.3 10.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.461 ' CZ ' HD11 ' A' ' 85' ' ' ILE . 23.1 t80 -52.0 -32.29 33.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.436 ' CD1' ' NE2' ' A' ' 119' ' ' GLN . 33.3 t90 -73.62 -61.33 1.87 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.416 ' CD1' HD22 ' A' ' 55' ' ' LEU . 31.9 mt -48.37 -45.63 13.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.05 -52.2 66.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.059 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 57' ' ' PHE . 57.2 m -44.9 -61.1 1.74 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -51.88 -43.1 63.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -64.14 -22.95 67.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.814 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.586 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -83.88 -21.67 31.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.81 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -66.88 -34.59 78.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -82.8 25.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.491 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 29.1 mt -102.17 108.46 23.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.03 -32.69 13.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 m -45.39 133.24 5.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.657 0.742 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -21.9 32.74 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.665 2.244 . . . . 0.0 112.352 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.501 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -95.23 -35.94 11.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.491 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -70.83 -46.94 61.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.43 ' N ' HG21 ' A' ' 67' ' ' ILE . 8.9 mtp -48.28 -38.28 18.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.7 -54.82 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.111 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 12.3 mm-40 -52.98 -55.94 19.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -54.33 -42.66 70.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.78 -50.28 45.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.56 -35.88 81.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -56.45 -49.68 73.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.2 mt -63.58 -30.81 50.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.638 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -76.45 -38.91 54.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.452 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 16.3 mm-40 -72.59 -11.04 60.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 17.9 tt0 -106.11 -39.91 5.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.45 ' C ' ' H ' ' A' ' 86' ' ' GLN . 79.2 m-85 -110.94 -57.73 2.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.56 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.3 mm -77.88 28.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -108.27 153.41 23.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.974 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.5 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 23.4 m -60.11 132.06 52.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.11 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 44.2 27.47 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.444 ' HB2' ' HD2' ' A' ' 90' ' ' PRO . . . -48.32 157.14 0.71 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.465 0.65 . . . . 0.0 111.164 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 89' ' ' ALA . 53.0 Cg_endo -69.75 -26.14 27.91 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.743 2.295 . . . . 0.0 112.305 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -124.36 17.19 9.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -38.95 127.16 1.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.1 m -89.79 173.05 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -85.89 98.52 10.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.7 pt -150.43 111.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -52.35 161.38 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -50.03 -36.28 28.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -50.94 -66.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 51.3 m -64.09 -48.53 75.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.09 -48.55 22.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.936 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -57.83 -45.59 85.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 31.0 mm -43.01 -66.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 97.0 m -40.25 -55.27 2.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.5 mtp -44.56 -57.89 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -59.54 -21.41 60.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -90.56 5.89 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.586 HD13 ' CD2' ' A' ' 81' ' ' TYR . 42.1 mt -91.58 -2.14 57.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.4 t -77.98 -58.32 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.513 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 7.1 mt-10 -123.26 50.45 3.1 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.671 0.748 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.9 Cg_endo -69.75 139.67 40.84 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.72 2.28 . . . . 0.0 112.371 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.0 m -133.67 -69.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.4 mt -133.02 -44.99 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.7 p -86.28 18.75 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.0 m -48.49 -53.67 17.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -102.61 40.12 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.51 -40.26 92.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 8.0 tpp -78.37 -59.04 2.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.05 -39.57 42.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.064 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.436 ' NE2' ' CD1' ' A' ' 58' ' ' TRP . 7.2 tp60 -62.83 -56.82 14.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -63.0 -29.78 71.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.481 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -64.3 -56.15 16.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 11.4 mm -65.62 -41.78 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -55.8 -38.31 69.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.97 -19.38 63.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.469 HD23 ' ND2' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -86.22 -53.68 4.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.455 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 29.9 mtm -61.03 -10.41 5.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.814 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.454 ' HA ' ' CB ' ' A' ' 131' ' ' LEU . 4.8 pt-20 -97.67 -23.9 15.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.413 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -111.86 -4.66 14.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.6 t0 -114.07 -65.75 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 133' ' ' ARG . 8.8 p -78.72 -55.55 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.601 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.6 tp -36.72 -53.23 1.86 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.615 0.721 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.8 Cg_endo -69.68 -25.34 29.06 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.39 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 130' ' ' SER . 14.1 mmt180 -91.29 -13.26 32.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.472 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 23.1 t80 -84.1 -41.55 17.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.499 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 29.3 m -60.52 -37.68 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -64.74 -46.68 81.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 17.4 p -58.27 139.29 55.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 139' ' ' PHE . 3.6 mt-10 -42.19 -38.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 138' ' ' GLU . 95.7 m-85 -37.01 -36.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.499 ' CG ' ' HA ' ' A' ' 135' ' ' VAL . 48.4 t80 -90.39 -42.87 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.442 ' O ' ' CB ' ' A' ' 145' ' ' SER . 77.1 mm-40 -51.76 -33.08 33.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -75.58 -23.86 56.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 38.3 mt -71.85 -35.36 69.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 145' ' ' SER . 25.6 pt -98.54 -41.79 10.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 31.1 p -65.88 -41.18 91.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -43.9 168.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 85.69 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.7 2.267 . . . . 0.0 112.371 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 49.5 m -132.41 -58.95 0.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.4 t -173.81 164.3 4.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.472 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.398 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 t -165.92 165.22 18.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 0.0 110.834 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -146.04 175.98 10.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.92 -156.47 18.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m 55.09 43.28 29.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.889 0.375 . . . . 0.0 110.951 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 m -121.05 155.47 34.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.92 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.24 118.39 2.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -7.03 20.02 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.757 2.305 . . . . 0.0 112.32 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -61.69 103.45 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -140.85 134.49 14.89 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.624 0.726 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -170.72 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.644 2.229 . . . . 0.0 112.343 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.85 151.46 20.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -169.41 175.77 5.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 t -142.55 137.84 30.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.98 -179.98 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -149.35 177.58 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.562 HG23 ' CH2' ' A' ' 25' ' ' TRP . 87.2 m -125.02 136.26 53.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -100.99 161.48 13.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.439 HD11 ' C ' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -51.89 -63.0 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -52.66 -16.14 0.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 24' ' ' GLN . 3.1 tp10 -85.89 -57.15 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.33 -33.88 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -72.58 -39.82 67.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 21' ' ' GLU . 17.0 mt-30 -56.13 -19.44 13.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.562 ' CH2' HG23 ' A' ' 17' ' ' THR . 49.6 m0 -73.03 -21.16 60.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -78.92 -34.33 44.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.82 -56.02 27.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 t -134.83 127.22 30.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.453 HD23 ' CE1' ' A' ' 123' ' ' HIS . 6.3 tp -51.98 -34.43 42.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -56.81 -42.83 80.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -57.6 -27.97 63.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.53 HD12 ' CD2' ' A' ' 25' ' ' TRP . 24.0 tp -80.1 -53.23 6.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.423 HD22 ' CD1' ' A' ' 39' ' ' LEU . 22.9 mt -56.76 -52.53 64.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 3.6 pt20 -45.8 -28.28 1.03 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.474 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 5.2 m120 -91.24 127.91 36.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -45.85 92.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -59.49 -58.81 6.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.41 -37.95 89.31 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.423 ' CD1' HD22 ' A' ' 33' ' ' LEU . 49.6 tp -62.37 -64.75 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -37.74 -57.75 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.3 t -59.35 -42.94 92.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.811 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.47 ' CD2' HD13 ' A' ' 55' ' ' LEU . 13.3 t80 -52.99 -38.59 62.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt -69.78 -63.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.9 t -44.08 -37.96 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CE2' ' OE2' ' A' ' 49' ' ' GLU . 23.7 t80 -61.65 -47.83 83.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 34.3 mt -55.54 -39.71 70.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -53.49 -36.34 61.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m -68.42 -38.63 81.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.591 ' OE2' ' CE2' ' A' ' 45' ' ' PHE . 2.5 pt-20 -90.5 -5.92 55.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 68.02 25.7 7.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -111.16 25.64 11.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -72.04 -14.56 61.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -68.5 -29.12 67.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.489 ' ND2' HD22 ' A' ' 125' ' ' LEU . 6.7 m-20 -65.82 -47.82 73.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.47 HD13 ' CD2' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -65.51 -49.42 69.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -38.89 -59.13 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -44.76 -37.87 4.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 48.1 t90 -68.83 -67.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 33.7 mt -39.53 -47.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.01 -50.8 72.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 55.7 m -43.52 -53.57 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.75 -46.42 87.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -61.03 -20.88 63.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.586 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -86.38 -30.69 21.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.86 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -67.29 -30.4 70.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -82.75 19.45 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 43.2 mt -93.74 105.82 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -84.0 -25.13 30.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.41 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 2.1 m -62.52 139.26 96.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -46.02 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.76 -60.6 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.471 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -44.39 -57.33 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.46 ' HG3' ' CG2' ' A' ' 67' ' ' ILE . 12.9 mtp -39.53 -36.01 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.8 -61.44 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -50.45 -56.68 10.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -50.68 -44.5 57.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.53 -50.43 31.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.053 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.478 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 4.7 pttp -60.35 -38.84 85.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.478 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 12.8 mt-30 -53.27 -54.81 30.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.2 mt -57.5 -25.88 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.606 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -80.25 -45.38 18.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.455 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 11.0 mt-10 -66.71 -8.26 26.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 12.8 tt0 -104.98 -52.88 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.439 ' C ' ' H ' ' A' ' 86' ' ' GLN . 67.1 m-85 -100.51 -53.62 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.541 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -78.9 25.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.484 ' HG3' ' N ' ' A' ' 87' ' ' THR . 0.0 OUTLIER -105.53 153.8 21.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.484 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 22.9 m -58.24 135.49 57.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 38.53 31.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -51.62 160.74 0.97 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.672 0.749 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -32.94 17.48 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -121.37 13.32 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -39.51 99.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.439 ' CG2' HD12 ' A' ' 95' ' ' ILE . 27.3 m -57.81 -179.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -95.49 100.02 11.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.439 HD12 ' CG2' ' A' ' 93' ' ' VAL . 0.9 OUTLIER -144.28 114.25 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -51.79 161.5 0.53 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -50.29 -38.24 40.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.805 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -49.76 -68.74 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 71.4 m -60.12 -51.34 70.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.77 -50.58 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.33 -49.26 77.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 22.2 mm -41.84 -62.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.532 HG22 ' CE1' ' A' ' 115' ' ' PHE . 95.1 m -43.44 -52.35 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.0 mtp -48.16 -55.28 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -61.36 -20.28 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -91.55 6.65 44.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.547 HD11 ' CD2' ' A' ' 81' ' ' TYR . 36.9 mt -92.76 -2.68 55.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.1 t -77.78 -58.31 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 4.4 mm-40 -123.26 50.94 3.38 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.735 0.779 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.1 Cg_endo -69.71 136.62 33.59 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.3 t -130.81 -67.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.3 mt -134.13 -44.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.6 p -87.83 20.43 3.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.2 p -57.42 -36.88 71.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.532 ' CE1' HG22 ' A' ' 103' ' ' THR . 96.5 m-85 -116.42 37.55 3.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -69.64 -44.14 71.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 4.3 tpp -72.8 -58.71 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.73 -45.31 58.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -58.07 -57.18 13.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -27.84 69.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.41 ' HD2' ' C ' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -65.31 -53.35 45.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 10.6 mm -68.2 -47.67 77.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.49 ' HA ' ' CG ' ' A' ' 126' ' ' MET . 7.7 t-80 -53.22 -36.0 60.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' ' 128' ' ' LYS . . . -71.54 -21.99 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.055 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.489 HD22 ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -87.5 -45.5 10.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.49 ' CG ' ' HA ' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -66.1 -9.57 32.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.834 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.506 ' O ' ' CD2' ' A' ' 131' ' ' LEU . 3.4 pt-20 -95.78 -22.06 17.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 124' ' ' ALA . 7.0 pttp -111.36 -9.96 14.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -106.85 -66.85 0.98 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 133' ' ' ARG . 98.7 p -79.04 -57.76 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.568 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 3.3 tp -30.82 -55.33 0.39 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.627 0.727 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.6 Cg_endo -69.66 -33.95 15.92 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.417 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 130' ' ' SER . 38.7 mtp85 -80.29 -13.17 59.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.558 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 21.9 t80 -86.84 -32.43 20.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 136' ' ' ARG . 35.0 m -70.62 -29.4 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.463 ' N ' HG23 ' A' ' 135' ' ' VAL . 19.0 mtt85 -69.21 -41.75 76.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 86.7 p -61.25 165.25 4.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 139' ' ' PHE . 2.2 tt0 -62.53 -40.05 95.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 138' ' ' GLU . 97.5 m-85 -35.74 -41.32 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.441 ' CB ' ' HA ' ' A' ' 135' ' ' VAL . 63.7 t80 -84.71 -50.35 7.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.498 ' O ' ' CB ' ' A' ' 145' ' ' SER . 81.8 mm-40 -46.3 -33.73 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 2.7 pt-20 -76.56 -32.03 57.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.45 ' N ' ' HG3' ' A' ' 142' ' ' GLU . 33.9 mt -61.96 -34.42 76.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 31.9 pt -100.9 -38.2 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.13 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 12.9 t -75.55 -53.89 7.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 46.31 -148.68 2.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 148' ' ' SER . 53.5 Cg_endo -69.77 163.63 37.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.258 . . . . 0.0 112.301 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 147' ' ' PRO . 14.1 m -34.21 137.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.6 m -166.32 158.87 14.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.944 0.402 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -57.51 11.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.55 ' HA ' HD12 ' A' ' 23' ' ' LEU . 10.2 t70 -54.9 -13.87 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 24' ' ' GLN . 6.0 tp10 -91.46 -58.28 2.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.17 -33.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.201 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.2 mt -72.64 -37.19 68.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' GLU . 34.7 mt-30 -54.43 -22.62 13.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.583 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 51.9 m0 -72.57 -23.56 60.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -69.32 -42.48 75.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.62 -59.09 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 m -130.13 132.6 46.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.486 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 7.1 tp -57.7 -42.14 83.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -39.39 -60.86 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -39.03 -41.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.524 ' CD1' ' CE3' ' A' ' 25' ' ' TRP . 28.2 tp -64.27 -66.32 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.502 HD13 ' CD2' ' A' ' 58' ' ' TRP . 70.3 mt -47.47 -47.65 27.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.984 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -52.92 -44.85 67.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -71.58 123.29 22.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -55.3 -45.04 76.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.416 ' CE2' HD23 ' A' ' 143' ' ' LEU . 2.1 t80 -61.74 -58.36 8.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.7 -40.48 88.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.01 -62.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.0 -50.64 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.081 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -67.16 -45.1 78.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -51.96 -45.82 64.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.609 ' HG2' HD13 ' A' ' 55' ' ' LEU . 35.8 mtpt -54.59 -64.46 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.9 t -41.29 -49.2 3.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -47.41 -49.98 23.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.495 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 89.8 mt -62.59 -53.3 56.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -39.96 -38.89 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.8 t -74.35 -39.02 63.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.548 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 23.3 mm-40 -86.62 18.72 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 35.5 p90 45.75 28.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.74 25.65 10.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.99 -19.21 63.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.0 pm0 -66.0 -25.68 67.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.443 ' C ' ' SD ' ' A' ' 126' ' ' MET . 21.2 m-20 -64.47 -47.27 79.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.68 HD22 HD11 ' A' ' 59' ' ' ILE . 1.2 tt -69.74 -43.66 71.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -44.18 -59.17 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.524 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 26.8 t80 -48.26 -34.04 9.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.502 ' CD2' HD13 ' A' ' 33' ' ' LEU . 55.2 t90 -70.03 -60.27 2.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.68 HD11 HD22 ' A' ' 55' ' ' LEU . 27.6 mt -48.58 -48.6 14.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.87 -47.86 79.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 58.8 m -46.83 -56.66 5.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -56.91 -44.15 82.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.95 -17.03 61.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.582 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -90.95 -32.18 16.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -62.54 -34.05 76.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -82.58 21.77 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.576 HG22 ' HG3' ' A' ' 73' ' ' MET . 33.2 mt -98.69 111.27 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 69' ' ' SER . 2.5 pptp? -91.33 -34.69 14.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.441 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 3.3 m -45.43 131.8 6.12 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.621 0.724 . . . . 0.0 110.845 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -23.75 30.29 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -89.94 -44.5 9.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 2.4 tptm -62.79 -50.31 71.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.576 ' HG3' HG22 ' A' ' 67' ' ' ILE . 10.0 mtp -44.26 -37.79 3.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -89.62 -60.67 1.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -49.05 -57.16 7.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 18.5 tptm -49.77 -43.58 48.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -49.38 -50.79 38.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.028 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -60.76 -33.93 73.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -58.74 -53.96 52.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.4 mt -58.11 -33.16 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.605 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -73.72 -46.22 47.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 5.0 mm-40 -66.4 -8.34 25.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.847 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 10.3 tt0 -103.83 -51.59 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.435 ' C ' ' H ' ' A' ' 86' ' ' GLN . 70.8 m-85 -103.21 -54.5 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.542 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -77.01 25.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.179 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.503 ' HB2' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -105.21 147.6 27.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.441 HG22 ' HG2' ' A' ' 88' ' ' GLU . 21.8 m -53.65 127.24 24.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.441 ' HG2' HG22 ' A' ' 87' ' ' THR . 3.7 mm-40 44.72 33.64 1.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.847 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -51.87 162.78 0.73 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.623 0.725 . . . . 0.0 111.078 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.667 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.8 Cg_endo -69.71 -33.11 17.42 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.676 2.25 . . . . 0.0 112.338 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 92' ' ' GLU . 11.1 mtpp -121.55 14.79 11.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.618 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 37.7 tt0 -36.38 105.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.525 HG23 HG12 ' A' ' 95' ' ' ILE . 33.8 m -63.58 177.53 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -91.61 96.58 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.525 HG12 HG23 ' A' ' 93' ' ' VAL . 1.3 pt -144.68 112.77 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -51.44 164.08 0.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -53.11 -34.38 56.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.402 ' O ' HG12 ' A' ' 102' ' ' ILE . 18.1 t80 -52.15 -70.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.427 HG21 ' HG3' ' A' ' 121' ' ' ARG . 48.3 m -59.26 -48.06 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.188 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.495 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -47.13 -51.64 17.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -55.67 -46.95 77.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 98' ' ' PHE . 26.6 mm -43.51 -66.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 118' ' ' ALA . 70.2 m -39.9 -53.16 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mtp -46.71 -56.46 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -60.88 -19.13 59.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -92.66 6.06 48.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.522 HD11 ' CD2' ' A' ' 81' ' ' TYR . 37.1 mt -92.18 -2.45 56.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.7 t -78.0 -58.39 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.506 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 8.3 mt-10 -122.78 50.38 2.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.604 0.716 . . . . 0.0 110.775 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.4 Cg_endo -69.66 137.81 36.64 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.704 2.269 . . . . 0.0 112.383 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.9 m -131.93 -68.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.0 mt -133.4 -45.22 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 72.8 m -90.11 22.19 3.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.42 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 3.6 p -55.22 -42.15 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -108.87 38.28 2.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -63.13 -50.87 68.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.408 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 5.4 tpp -67.85 -58.74 4.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.524 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -46.99 -43.46 19.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.01 -57.71 10.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 117' ' ' MET . 4.3 pttp -61.33 -27.19 68.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.439 ' C ' ' HD2' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -66.66 -56.59 9.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.808 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 122' ' ' ILE . 12.0 mm -65.99 -42.63 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -55.94 -37.11 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.72 -22.08 61.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.438 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -83.38 -42.8 16.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.443 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 41.0 mtm -71.79 -11.14 60.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.706 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.8 pt-20 -98.58 -24.67 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.823 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.423 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -110.96 -4.27 15.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 13.0 t70 -116.11 -65.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 134' ' ' PHE . 4.3 m -76.11 -55.23 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 127' ' ' GLU . 4.4 tp -38.17 -54.29 2.67 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.61 0.719 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.9 Cg_endo -69.7 -21.98 33.0 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.375 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 130' ' ' SER . 74.4 mtt180 -94.43 -13.28 26.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 130' ' ' SER . 26.3 t80 -85.6 -37.57 19.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.514 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 24.5 m -63.53 -37.29 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -66.99 -31.36 71.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.5 p -68.32 165.63 18.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 139' ' ' PHE . 0.8 OUTLIER -62.82 -49.01 76.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.466 ' C ' ' O ' ' A' ' 138' ' ' GLU . 65.1 m-85 -32.5 -37.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.734 ' HA ' HD12 ' A' ' 143' ' ' LEU . 54.2 t80 -82.16 -49.95 9.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 138' ' ' GLU . 67.2 mm-40 -47.54 -32.79 5.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -79.03 -26.05 43.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' A' ' 140' ' ' TYR . 25.0 mt -74.38 -32.95 62.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.715 HD13 ' CE2' ' A' ' 140' ' ' TYR . 30.2 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.896 0.379 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 144' ' ' ILE . 0.4 OUTLIER -52.23 -58.83 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.942 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.711 ' HA ' HD12 ' A' ' 23' ' ' LEU . 11.9 t70 -51.77 -16.68 0.72 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.829 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' GLN . 9.3 tt0 -88.73 -58.11 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.558 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -42.31 -31.68 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.026 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.4 mt -73.47 -36.8 65.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' GLU . 45.7 mt-30 -55.7 -23.07 26.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.584 ' HB3' HD13 ' A' ' 32' ' ' LEU . 33.9 m0 -70.81 -19.47 62.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.442 ' HG2' HG11 ' A' ' 135' ' ' VAL . 57.2 mtp180 -78.44 -45.78 21.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -53.12 -57.07 11.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -131.45 136.05 47.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.508 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 19.9 tp -55.56 -47.46 76.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 31' ' ' LYS . 14.0 t0 -40.05 -62.36 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -38.24 -33.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.584 HD13 ' HB3' ' A' ' 25' ' ' TRP . 28.6 tp -76.24 -61.95 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.1 mt -50.62 -51.75 45.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -50.16 -45.29 53.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -70.69 123.71 22.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -56.8 -46.38 81.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.408 ' CE2' HD23 ' A' ' 143' ' ' LEU . 2.3 t80 -59.86 -55.15 37.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.93 -41.7 97.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.71 -62.99 1.46 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.833 0.349 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.0 -55.21 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.8 p -61.26 -46.11 91.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.793 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -50.99 -39.14 54.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -61.35 -62.77 1.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 t -41.34 -43.72 2.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -55.53 -48.6 74.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 93.7 mt -64.88 -57.28 9.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -43.18 -48.46 6.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -66.27 -38.54 88.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -84.1 -1.68 55.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' LEU . 35.9 m-85 65.39 35.74 7.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.427 ' O ' HD22 ' A' ' 46' ' ' LEU . 38.4 m -128.72 33.11 4.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -76.23 -25.08 54.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 pm0 -54.59 -31.59 57.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.456 ' C ' ' SD ' ' A' ' 126' ' ' MET . 2.8 m-20 -62.92 -48.47 78.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.722 HD22 ' CD1' ' A' ' 59' ' ' ILE . 1.1 tt -71.21 -45.97 62.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -43.26 -55.91 3.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 20.3 t80 -50.44 -32.99 19.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -73.22 -59.96 2.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.722 ' CD1' HD22 ' A' ' 55' ' ' LEU . 36.6 mt -48.84 -47.74 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.066 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.35 -52.48 63.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.104 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.6 m -45.14 -64.11 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -47.61 -43.6 25.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -63.94 -24.53 67.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.59 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -83.18 -19.36 36.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.767 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.632 ' O ' HD22 ' A' ' 112' ' ' LEU . 15.1 mmtp -70.92 -32.79 69.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -81.48 18.46 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.572 HG22 ' HG3' ' A' ' 73' ' ' MET . 21.4 mt -94.92 105.0 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -89.29 -34.84 16.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.441 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 1.8 m -47.29 136.35 9.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.651 0.739 . . . . 0.0 110.837 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -24.68 29.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.28 -58.37 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.057 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.459 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -49.11 -50.56 36.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.572 ' HG3' HG22 ' A' ' 67' ' ' ILE . 8.8 mtp -45.09 -37.59 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.51 -59.33 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -51.46 -59.66 4.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.417 ' HB2' ' NZ ' ' A' ' 72' ' ' LYS . 20.3 tptm -45.79 -47.17 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.0 -48.28 32.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -60.84 -30.39 70.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -63.96 -55.93 18.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 36.3 mt -57.29 -30.31 35.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.185 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.663 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.6 OUTLIER -78.12 -47.3 18.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.914 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.489 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 5.0 mm-40 -65.59 -7.92 17.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.829 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 21.4 tt0 -104.1 -53.58 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.426 ' C ' ' H ' ' A' ' 86' ' ' GLN . 65.8 m-85 -101.15 -53.68 2.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.54 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -77.58 24.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.68 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.45 151.81 23.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.497 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 43.9 m -54.77 133.18 47.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.451 ' HG2' HG22 ' A' ' 87' ' ' THR . 23.4 pt-20 35.15 34.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.829 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -50.83 165.7 0.35 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.582 0.706 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.745 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.8 Cg_endo -69.75 -33.94 15.62 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -121.81 17.58 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 7.3 tt0 -39.84 100.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.518 HG11 ' HB2' ' A' ' 57' ' ' PHE . 33.2 m -58.66 -178.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -96.36 96.88 9.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.51 HG12 HG23 ' A' ' 93' ' ' VAL . 1.3 pt -143.91 113.15 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -51.44 165.59 0.15 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.791 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -54.6 -35.65 63.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.401 ' O ' HG12 ' A' ' 102' ' ' ILE . 12.3 t80 -51.03 -68.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.0 m -61.44 -48.38 81.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.76 -51.6 15.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -56.25 -46.57 79.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.813 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 98' ' ' PHE . 17.0 mm -44.03 -65.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.2 m -39.99 -51.32 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.4 mtp -49.29 -55.54 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -61.32 -19.2 61.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.97 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -92.99 4.73 53.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.663 HD11 ' CD2' ' A' ' 81' ' ' TYR . 57.3 mt -91.03 -0.69 57.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.408 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 13.9 t -80.22 -58.01 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.527 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 9.9 mt-10 -121.87 48.96 1.8 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.677 0.751 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.3 Cg_endo -69.78 139.65 40.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.386 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.1 t -132.76 -71.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.632 HD22 ' O ' ' A' ' 65' ' ' LYS . 83.7 mt -131.35 -44.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.4 m -92.11 24.97 3.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.468 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 2.5 p -59.49 -40.17 86.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -108.62 38.23 2.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -66.3 -56.3 11.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 5.7 tpp -59.75 -60.77 3.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.568 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -50.22 -35.21 25.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -69.43 -51.66 34.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -66.41 -29.25 69.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -60.09 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' ' 122' ' ' ILE . 8.3 mm -58.73 -40.03 78.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.427 ' CD2' HD23 ' A' ' 29' ' ' LEU . 5.1 t-80 -57.08 -37.28 71.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.23 -20.35 62.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.0 -43.32 13.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.456 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 47.9 mtm -69.94 -10.33 58.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.773 ' O ' HD23 ' A' ' 131' ' ' LEU . 6.1 pt-20 -98.01 -24.7 15.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.31 -5.17 14.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -113.17 -66.63 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 133' ' ' ARG . 33.0 m -78.04 -55.93 4.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.773 HD23 ' O ' ' A' ' 127' ' ' GLU . 4.0 tp -34.66 -54.43 0.97 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.648 0.737 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.3 Cg_endo -69.75 -26.84 27.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.739 2.293 . . . . 0.0 112.307 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 130' ' ' SER . 61.9 mtm180 -88.51 -13.65 39.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.788 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 130' ' ' SER . 15.2 t80 -84.32 -39.1 19.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.465 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 28.2 m -67.84 -23.03 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.093 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -71.69 -41.29 68.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 97.9 p -65.24 175.9 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -74.75 -34.88 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -40.86 -32.69 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.768 ' HA ' HD12 ' A' ' 143' ' ' LEU . 59.1 t80 -91.26 -49.59 6.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.96 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -48.88 -30.79 6.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -78.29 -26.27 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' A' ' 140' ' ' TYR . 34.3 mt -68.46 -33.75 74.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.437 ' HA ' HD22 ' A' ' 19' ' ' LEU . 24.2 pt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.813 0.34 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -51.41 -62.55 1.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.668 ' HA ' HD12 ' A' ' 23' ' ' LEU . 2.9 m-20 -51.94 -16.61 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 24' ' ' GLN . 10.1 tt0 -85.98 -58.1 2.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.478 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -40.72 -33.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.5 mt -73.16 -37.37 66.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' GLU . 25.9 mt-30 -56.17 -21.84 25.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 51.8 m0 -71.96 -20.72 61.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.417 ' HG2' HG11 ' A' ' 135' ' ' VAL . 44.4 mtp180 -74.45 -38.77 62.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -54.66 -58.49 7.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -135.1 121.6 20.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 tp -44.61 -40.23 5.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.941 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -44.89 -52.96 8.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -48.8 -33.3 10.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.0 tp -72.32 -60.81 2.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.531 HD13 ' CE3' ' A' ' 58' ' ' TRP . 81.2 mt -52.68 -44.45 66.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -53.33 -45.39 69.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -72.46 127.79 33.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -56.28 -49.97 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.47 ' CE2' HD23 ' A' ' 143' ' ' LEU . 2.1 t80 -58.28 -57.91 10.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.12 -42.38 87.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.4 tp -59.6 -63.97 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.26 -50.49 3.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -64.07 -47.33 80.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.808 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -50.51 -41.06 53.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.604 ' HG2' HD13 ' A' ' 55' ' ' LEU . 33.3 mtpt -62.25 -63.02 1.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 t -38.96 -49.05 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.49 ' CE1' ' HG3' ' A' ' 49' ' ' GLU . 15.0 t80 -52.15 -49.71 63.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.532 HD22 ' O ' ' A' ' 51' ' ' SER . 91.6 mt -59.63 -56.91 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -41.81 -43.86 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -70.24 -43.38 70.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.49 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 5.5 mm-40 -78.68 -4.41 48.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 46' ' ' LEU . 22.9 m-85 66.84 36.99 4.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.532 ' O ' HD22 ' A' ' 46' ' ' LEU . 37.7 m -129.68 33.4 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.921 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -74.85 -26.75 59.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.474 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 25.6 pm0 -54.76 -31.43 58.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.474 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 2.7 m-20 -60.98 -53.31 58.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.668 HD22 ' CD1' ' A' ' 59' ' ' ILE . 0.7 OUTLIER -63.7 -47.28 81.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.965 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -42.14 -57.68 2.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.566 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 18.1 t80 -49.08 -34.5 13.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.531 ' CE3' HD13 ' A' ' 33' ' ' LEU . 38.4 t90 -71.23 -62.83 1.26 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.668 ' CD1' HD22 ' A' ' 55' ' ' LEU . 43.6 mt -46.42 -43.36 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.15 -46.99 86.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.036 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 65.1 m -50.61 -59.64 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -54.62 -35.15 63.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -71.23 -33.91 70.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.514 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.1 t80 -69.11 -26.27 64.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 61' ' ' CYS . 28.4 mmtt -68.85 -29.88 68.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -69.22 -5.12 20.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.955 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.554 HG22 ' HG3' ' A' ' 73' ' ' MET . 27.2 mt -80.66 123.3 37.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.192 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.56 3.85 14.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.5 t -84.24 139.07 39.04 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.702 0.763 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -10.39 28.45 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.715 2.276 . . . . 0.0 112.339 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -105.18 -53.52 2.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -57.93 -41.75 83.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.554 ' HG3' HG22 ' A' ' 67' ' ' ILE . 6.8 mtp -54.69 -33.03 60.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.824 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.73 -56.21 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.08 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -55.35 -58.38 7.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.546 ' HG2' HD11 ' A' ' 67' ' ' ILE . 19.1 tptm -47.61 -44.27 26.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.64 -49.13 57.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 6.5 pttm -60.23 -35.82 76.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.419 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 64.0 mt-30 -57.69 -56.66 19.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 35.7 mt -55.7 -30.8 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.609 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -75.96 -44.77 38.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.497 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 13.3 mm-40 -66.72 -8.21 26.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.862 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 10.6 tt0 -105.1 -52.85 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.402 ' C ' ' H ' ' A' ' 86' ' ' GLN . 68.4 m-85 -100.84 -53.77 2.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.547 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.2 mm -78.89 25.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.672 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.9 153.92 21.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.492 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 29.0 m -57.57 134.11 55.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.482 ' HG2' HG22 ' A' ' 87' ' ' THR . 12.6 pt-20 37.34 31.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.862 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -49.66 162.59 0.44 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.571 0.7 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.654 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.4 Cg_endo -69.83 -30.17 22.4 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.64 2.227 . . . . 0.0 112.384 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -124.95 17.43 8.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.601 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 58.1 tt0 -40.6 100.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.517 HG11 ' HB2' ' A' ' 57' ' ' PHE . 32.8 m -58.84 -175.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -100.06 101.69 12.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -147.67 113.88 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -49.42 161.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -51.4 -37.23 47.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -50.8 -68.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 37.5 m -60.31 -49.65 76.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.175 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 104' ' ' MET . 0.1 OUTLIER -47.23 -47.73 24.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -61.59 -47.45 85.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.9 mm -43.41 -63.07 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -42.82 -52.66 4.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.144 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 100' ' ' LYS . 3.0 mtp -47.33 -55.98 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.827 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -60.35 -22.53 63.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -89.61 6.1 42.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.574 HD11 ' CD2' ' A' ' 81' ' ' TYR . 60.9 mt -92.03 -0.78 57.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.4 t -79.4 -57.9 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.525 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 7.4 mt-10 -123.1 49.68 2.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.71 0.767 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.5 Cg_endo -69.76 134.47 28.05 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.612 2.208 . . . . 0.0 112.358 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.7 t -123.57 -70.65 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.0 mt -134.83 -45.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.402 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 55.9 p -87.91 19.53 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.453 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 1.3 p -56.41 -42.43 77.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.837 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 30.8 m-85 -105.04 36.38 2.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.798 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 113' ' ' SER . 10.6 p-10 -68.46 -49.43 59.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 2.9 tpp -63.61 -66.46 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.566 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -46.64 -42.05 15.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.437 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 41.9 tt0 -60.11 -53.7 54.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -25.28 65.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.512 ' CD ' ' C ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -67.33 -54.67 18.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 122' ' ' ILE . 10.4 mm -64.88 -42.12 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -53.91 -37.88 64.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.66 -22.86 62.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 129' ' ' ASP . 0.7 OUTLIER -83.97 -43.47 15.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.454 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 38.1 mtm -71.05 -11.05 60.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.467 ' O ' HD23 ' A' ' 131' ' ' LEU . 6.1 pt-20 -98.41 -23.69 15.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.444 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -110.43 -5.26 15.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 132' ' ' PRO . 34.8 t70 -115.85 -65.17 1.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.912 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 133' ' ' ARG . 42.2 m -75.75 -58.86 3.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.61 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.4 tp -35.59 -54.05 1.29 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.7 Cg_endo -69.78 -25.83 28.13 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.718 2.278 . . . . 0.0 112.356 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 130' ' ' SER . 14.4 mtp85 -89.91 -13.38 36.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.4 t80 -86.75 -42.84 13.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.455 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 28.6 m -56.11 -37.7 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -66.16 -44.79 83.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 23.1 p -57.0 136.96 56.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.804 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 139' ' ' PHE . 2.2 mm-40 -41.66 -39.41 1.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 138' ' ' GLU . 97.2 m-85 -37.59 -38.38 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.73 ' HA ' HD12 ' A' ' 143' ' ' LEU . 48.7 t80 -86.03 -43.92 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.923 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -51.91 -32.01 30.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -78.0 -25.12 47.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' A' ' 140' ' ' TYR . 33.8 mt -70.08 -34.94 73.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.478 HG22 ' HB3' ' A' ' 22' ' ' ALA . 29.9 pt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.935 0.398 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -46.0 -62.6 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.67 ' HA ' HD12 ' A' ' 23' ' ' LEU . 20.7 m-20 -48.18 -19.27 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 24' ' ' GLN . 11.6 tt0 -86.95 -58.82 2.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -41.52 -31.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.1 mt -75.83 -36.04 59.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' GLU . 12.4 mt-30 -54.14 -24.19 16.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.66 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 36.3 m0 -72.09 -23.49 61.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.942 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.462 ' HG2' HG11 ' A' ' 135' ' ' VAL . 11.4 mtp-105 -74.23 -41.45 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -57.78 -56.24 24.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 t -135.17 137.52 42.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.797 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.474 HD21 HD11 ' A' ' 33' ' ' LEU . 7.4 tp -56.12 -40.17 73.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 31' ' ' LYS . 3.7 m-20 -43.3 -62.68 0.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.475 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 20.2 mmtt -37.28 -37.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.513 HD21 ' HB2' ' A' ' 42' ' ' PHE . 24.3 tp -73.22 -65.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.474 HD11 HD21 ' A' ' 29' ' ' LEU . 88.3 mt -47.37 -51.92 18.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -54.3 -42.84 70.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 31' ' ' LYS . 2.7 m-80 -70.0 124.72 24.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -57.33 -47.75 80.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -62.88 -53.89 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.14 -39.5 94.52 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.3 tp -62.73 -61.62 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.07 -51.29 4.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.034 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.9 m -66.49 -45.05 80.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.513 ' HB2' HD21 ' A' ' 32' ' ' LEU . 35.7 t80 -51.52 -41.53 61.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HG2' HD13 ' A' ' 55' ' ' LEU . 35.8 mtpt -60.8 -64.07 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.5 t -40.56 -41.89 1.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.826 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.436 ' CZ ' ' HG3' ' A' ' 49' ' ' GLU . 18.4 t80 -57.62 -46.69 83.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.631 HD22 ' O ' ' A' ' 51' ' ' SER . 63.4 mt -57.95 -50.29 73.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -43.72 -47.61 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -65.29 -41.29 94.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.436 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 8.3 mm-40 -80.92 -5.63 57.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 46' ' ' LEU . 15.1 m-85 62.53 36.83 13.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.631 ' O ' HD22 ' A' ' 46' ' ' LEU . 65.5 m -129.83 34.84 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.594 ' HA ' HD13 ' A' ' 46' ' ' LEU . 9.5 tt0 -75.94 -20.83 57.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.476 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 11.1 pm0 -60.13 -31.41 70.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.476 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 3.2 m-20 -60.84 -49.33 77.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.86 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.633 HD22 ' CD1' ' A' ' 59' ' ' ILE . 0.9 OUTLIER -66.48 -43.8 84.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -44.73 -58.09 3.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.561 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 20.8 t80 -48.79 -31.62 7.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 37.7 t90 -74.62 -62.84 1.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.633 ' CD1' HD22 ' A' ' 55' ' ' LEU . 54.5 mt -46.13 -42.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.88 -49.02 76.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.4 m -47.37 -54.61 10.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -56.62 -44.13 80.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.19 -15.41 59.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.549 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -90.84 -30.51 16.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -65.88 -32.12 73.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -82.21 17.48 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.56 HG22 ' HG3' ' A' ' 73' ' ' MET . 24.1 mt -94.03 118.29 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.21 -34.31 11.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -47.46 133.6 10.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -27.44 26.57 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.658 2.239 . . . . 0.0 112.399 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.09 -42.83 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.49 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 3.5 tptt -62.69 -51.61 66.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.56 ' HG3' HG22 ' A' ' 67' ' ' ILE . 9.4 mtp -44.56 -35.1 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.41 -62.28 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.42 -59.76 3.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 39.3 tptt -45.39 -46.27 13.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -47.4 -49.92 23.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.498 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 6.9 pttt -61.08 -39.7 90.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.498 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 19.0 mt-30 -53.27 -50.18 65.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.5 mt -61.29 -29.59 46.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.597 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -77.54 -46.1 23.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.1 mt-10 -66.02 -8.43 23.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.87 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 16.7 tt0 -104.38 -52.58 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.401 ' C ' ' H ' ' A' ' 86' ' ' GLN . 62.7 m-85 -101.74 -53.79 2.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.55 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.3 mm -78.99 26.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.656 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -104.81 148.13 26.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.973 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.493 HG22 ' HG3' ' A' ' 88' ' ' GLU . 21.0 m -55.13 123.94 15.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.493 ' HG3' HG22 ' A' ' 87' ' ' THR . 18.5 mt-10 48.08 33.73 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.87 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -53.39 163.25 1.01 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.523 0.678 . . . . 0.0 111.093 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.678 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.5 Cg_endo -69.66 -33.22 17.41 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.652 2.235 . . . . 0.0 112.411 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -121.89 17.82 10.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.587 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 19.3 tt0 -40.91 105.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.511 HG11 ' HB2' ' A' ' 57' ' ' PHE . 35.3 m -61.65 -176.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -98.7 98.54 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.405 HG12 HG23 ' A' ' 93' ' ' VAL . 1.4 pt -145.98 112.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -50.44 157.92 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -48.32 -34.41 10.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -51.72 -70.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 63.7 m -60.17 -50.09 75.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.149 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.53 -45.24 13.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.901 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.16 -45.57 92.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.402 ' HA ' ' HD2' ' A' ' 105' ' ' LYS . 40.9 mm -44.54 -63.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 106' ' ' ASN . 88.6 m -42.05 -55.15 3.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.5 mtp -42.82 -54.38 4.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' A' ' 102' ' ' ILE . 4.3 mttm -61.45 -24.21 66.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.847 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 103' ' ' THR . 92.5 m-20 -87.64 7.97 27.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.523 HD11 ' CD2' ' A' ' 81' ' ' TYR . 34.6 mt -93.68 -3.93 51.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.5 t -76.8 -58.07 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 10.0 mt-10 -123.33 51.23 3.67 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.561 0.696 . . . . 0.0 110.841 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.6 Cg_endo -69.79 134.74 28.66 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.729 2.286 . . . . 0.0 112.323 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.1 m -132.02 -66.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 112' ' ' LEU . 13.4 mt -135.03 -45.35 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 t -89.79 22.25 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.1 p -60.02 -38.4 82.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -114.24 47.05 1.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.98 -51.19 11.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.868 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 5.0 tpp -64.86 -58.93 4.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.561 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -49.76 -42.59 46.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -60.62 -57.85 10.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -27.43 68.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.453 ' CD ' ' C ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -66.68 -53.32 35.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 122' ' ' ILE . 8.2 mm -67.97 -45.2 84.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -53.31 -37.6 62.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.53 -20.53 62.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.63 -43.95 12.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.448 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 41.6 mtm -68.85 -10.34 56.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.644 ' O ' HD23 ' A' ' 131' ' ' LEU . 5.6 pt-20 -97.35 -23.99 15.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.815 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.419 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -111.44 -6.06 14.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -111.7 -66.46 1.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 133' ' ' ARG . 14.4 p -78.38 -57.41 3.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 127' ' ' GLU . 5.2 tp -34.2 -53.86 0.89 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.585 0.707 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.6 Cg_endo -69.77 -29.15 24.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.333 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 130' ' ' SER . 22.9 mmt180 -85.66 -13.75 47.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 130' ' ' SER . 14.0 t80 -85.22 -50.22 7.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.462 HG11 ' HG2' ' A' ' 26' ' ' ARG . 23.6 m -49.92 -26.54 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.058 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.8 mtp85 -74.99 -42.53 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 138' ' ' GLU . 13.8 p -60.31 133.12 55.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 139' ' ' PHE . 0.1 OUTLIER -36.01 -41.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.457 ' C ' ' O ' ' A' ' 138' ' ' GLU . 89.5 m-85 -33.74 -43.25 0.13 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.821 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.818 ' HA ' HD12 ' A' ' 143' ' ' LEU . 47.1 t80 -80.51 -44.72 18.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 138' ' ' GLU . 93.2 mm-40 -49.09 -35.12 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -77.61 -25.49 49.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' A' ' 140' ' ' TYR . 41.6 mt -70.4 -33.91 71.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.562 HG22 ' HB3' ' A' ' 22' ' ' ALA . 31.7 pt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.944 0.402 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.568 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -58.34 -53.38 58.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.593 ' HA ' HD12 ' A' ' 23' ' ' LEU . 8.2 t70 -57.76 -12.02 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 24' ' ' GLN . 9.3 tt0 -88.63 -61.07 1.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.55 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -37.7 -35.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.089 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' A' ' 20' ' ' ASP . 3.4 mt -69.38 -41.24 76.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 21' ' ' GLU . 13.9 mt-30 -54.5 -22.92 14.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.577 ' HB3' HD13 ' A' ' 32' ' ' LEU . 44.8 m0 -70.8 -23.03 62.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -76.65 -39.82 51.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -53.02 -58.58 6.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -134.99 132.86 38.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.809 HD21 ' SD ' ' A' ' 126' ' ' MET . 8.3 tp -49.42 -45.17 45.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' LYS . 16.3 m-20 -42.63 -62.44 0.99 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' HD3' ' HB3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -36.52 -47.97 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.884 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.577 HD13 ' HB3' ' A' ' 25' ' ' TRP . 26.6 tp -60.13 -61.43 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.956 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 52.3 mt -49.38 -50.36 40.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.007 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -48.82 -44.65 39.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -75.19 127.98 34.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -60.33 -51.25 70.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.815 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.19 -52.57 62.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.08 -40.6 99.14 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.448 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.0 tp -64.12 -62.67 1.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.42 -56.07 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.5 m -62.63 -42.55 99.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -53.57 -44.38 69.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -57.43 -64.88 0.74 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 t -37.79 -49.18 1.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.533 ' CD2' ' HB2' ' A' ' 134' ' ' PHE . 42.4 t80 -48.32 -44.85 34.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.811 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.731 HD23 ' HA ' ' A' ' 52' ' ' GLU . 9.4 mp -63.76 -51.85 63.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -41.11 -45.72 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 m -64.77 -41.28 95.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -79.83 -10.69 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 68.97 32.86 3.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 m -126.84 30.92 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.731 ' HA ' HD23 ' A' ' 46' ' ' LEU . 9.9 tt0 -72.26 -25.98 61.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 91' ' ' LYS . 3.7 pt-20 -54.57 -33.97 61.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.606 ' O ' HG21 ' A' ' 122' ' ' ILE . 3.0 m-20 -58.87 -46.57 87.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.523 HD22 ' CD1' ' A' ' 59' ' ' ILE . 0.9 OUTLIER -72.69 -46.12 55.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -40.68 -59.89 1.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -44.66 -39.08 4.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.417 ' CB ' ' HE1' ' A' ' 126' ' ' MET . 70.8 t90 -67.05 -64.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.523 ' CD1' HD22 ' A' ' 55' ' ' LEU . 39.2 mt -42.32 -42.63 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.74 -45.89 87.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.047 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 54.9 m -47.29 -57.79 4.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -55.82 -41.49 74.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -65.44 -20.8 66.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.809 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.526 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.2 t80 -86.89 -30.8 21.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -63.89 -31.88 73.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.417 ' HB3' ' NZ ' ' A' ' 66' ' ' LYS . 0.9 OUTLIER -83.63 23.62 0.94 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.839 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.558 HG22 ' HG3' ' A' ' 73' ' ' MET . 20.6 mt -101.18 113.19 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.419 ' HD3' ' C ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -93.51 -34.21 13.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.833 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 m -46.36 130.77 7.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.731 0.777 . . . . 0.0 110.811 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -20.86 33.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.274 . . . . 0.0 112.305 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -92.56 -41.02 10.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.512 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -67.0 -49.66 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.558 ' HG3' HG22 ' A' ' 67' ' ' ILE . 12.9 mtp -45.39 -37.48 5.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.67 -57.18 2.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 11.1 mm-40 -53.04 -57.54 10.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 18.3 tptm -48.94 -48.86 42.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.4 -46.05 9.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.498 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 3.6 pttp -63.96 -40.19 95.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.498 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 20.1 mt-30 -52.75 -51.98 58.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.3 mt -60.24 -30.11 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.645 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.5 OUTLIER -76.27 -45.09 34.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.492 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 6.6 mt-10 -67.44 -8.7 35.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.766 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 20.4 tt0 -105.05 -49.73 3.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.416 ' C ' ' H ' ' A' ' 86' ' ' GLN . 78.3 m-85 -103.57 -54.85 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.561 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -77.95 27.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.492 ' HB2' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -107.46 146.98 31.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.871 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 89' ' ' ALA . 67.4 m -50.97 134.2 26.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 37.1 32.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.766 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -49.88 162.33 0.48 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.593 0.711 . . . . 0.0 111.094 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.644 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.1 Cg_endo -69.82 -31.67 19.82 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.285 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 53' ' ' GLU . 8.8 mtpp -123.63 20.6 9.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 28.8 tt0 -42.18 103.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.463 HG23 HG12 ' A' ' 95' ' ' ILE . 30.0 m -62.98 165.44 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -80.65 96.9 7.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.669 HG23 HD11 ' A' ' 122' ' ' ILE . 3.4 pt -146.1 112.25 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -48.89 167.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -56.74 -34.64 67.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -52.14 -68.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.7 m -60.7 -47.5 86.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.481 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -48.22 -53.15 18.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -54.81 -49.15 71.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.1 mm -41.14 -67.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.201 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 97.8 m -39.44 -52.9 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.6 mtp -48.28 -57.3 6.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -59.2 -20.95 58.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -90.53 5.0 49.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.645 HD11 ' CD2' ' A' ' 81' ' ' TYR . 37.4 mt -89.29 -2.94 58.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.405 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 14.9 t -79.47 -57.8 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.105 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.522 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 11.0 mt-10 -121.73 49.71 2.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.728 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.78 124.16 10.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.624 2.216 . . . . 0.0 112.398 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.4 m -118.24 -70.63 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.7 mt -134.09 -44.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.8 m -87.16 20.2 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.7 m -49.06 -55.83 10.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.828 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.43 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 40.0 m-85 -99.87 39.11 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -64.32 -34.94 79.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 4.2 tpp -83.35 -67.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -43.99 -33.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 37.4 tt0 -66.8 -53.16 35.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -67.41 -29.01 68.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.98 -54.8 24.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.669 HD11 HG23 ' A' ' 95' ' ' ILE . 11.2 mm -65.34 -46.02 91.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.704 ' CE1' HD23 ' A' ' 29' ' ' LEU . 7.1 t-80 -55.59 -35.59 65.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.3 -23.87 61.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.47 -43.08 13.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.809 ' SD ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -69.89 -11.71 61.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.869 ' O ' HD23 ' A' ' 131' ' ' LEU . 5.4 pt-20 -96.34 -22.55 17.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.79 -6.85 14.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -109.39 -66.89 1.02 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.893 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 133' ' ' ARG . 22.8 p -80.04 -55.9 4.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.869 HD23 ' O ' ' A' ' 127' ' ' GLU . 4.1 tp -32.83 -54.25 0.6 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.624 0.726 . . . . 0.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.2 Cg_endo -69.86 -31.54 19.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.64 2.227 . . . . 0.0 112.345 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 130' ' ' SER . 15.5 mtt180 -84.25 -12.69 54.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.533 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 17.8 t80 -85.46 -35.95 20.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.444 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 33.8 m -70.25 -34.44 58.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.179 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -60.85 -44.9 96.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 87.2 p -61.9 166.42 4.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 139' ' ' PHE . 2.7 tt0 -64.65 -38.37 90.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 138' ' ' GLU . 92.4 m-85 -34.35 -39.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.638 ' HA ' HD12 ' A' ' 143' ' ' LEU . 66.2 t80 -88.11 -43.95 11.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -50.26 -32.2 16.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.19 -25.93 52.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 140' ' ' TYR . 34.3 mt -69.63 -37.24 76.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.407 ' HA ' HD22 ' A' ' 19' ' ' LEU . 35.1 pt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.918 0.389 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.81 -57.82 10.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.712 ' HA ' HD12 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -56.64 -12.26 1.74 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 24' ' ' GLN . 12.4 tt0 -89.81 -59.23 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.437 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -40.92 -32.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.2 mt -71.99 -38.6 69.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' GLU . 62.2 mt-30 -54.47 -23.66 17.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.51 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 50.5 m0 -71.09 -23.38 62.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -71.92 -38.84 69.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -56.32 -59.85 4.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -135.15 126.41 28.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.817 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 tp -48.21 -39.38 20.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -44.97 -53.28 7.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -47.98 -37.53 14.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.3 tp -67.64 -64.46 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.466 HD13 ' CE3' ' A' ' 58' ' ' TRP . 58.4 mt -48.96 -44.83 41.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -53.8 -45.05 70.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -72.85 127.24 31.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -56.32 -53.26 59.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -55.39 -56.19 23.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.77 -41.77 94.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.52 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.1 tp -62.95 -61.3 2.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.845 0.355 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.78 -48.76 10.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.073 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.2 m -68.98 -43.22 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -53.84 -42.92 69.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.524 ' HG2' HD13 ' A' ' 55' ' ' LEU . 36.7 mtpt -58.1 -63.58 1.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 t -40.47 -45.32 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.432 ' CD2' ' HB2' ' A' ' 134' ' ' PHE . 26.2 t80 -52.07 -40.8 61.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.781 HD23 ' HA ' ' A' ' 52' ' ' GLU . 9.0 mp -71.97 -53.44 13.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.438 ' HG3' ' CD ' ' A' ' 52' ' ' GLU . 39.8 mtpt -41.26 -41.97 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.3 p -69.77 -36.46 75.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.83 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' OE2' ' NH1' ' A' ' 133' ' ' ARG . 5.6 mm-40 -85.18 -9.98 57.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 69.09 32.11 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.4 m -126.42 30.94 5.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.785 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.781 ' HA ' HD23 ' A' ' 46' ' ' LEU . 13.1 tt0 -73.76 -22.48 59.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 5.6 pm0 -52.5 -33.57 45.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.466 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 5.2 m-20 -60.37 -44.13 95.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.69 HD22 HD11 ' A' ' 59' ' ' ILE . 1.2 tt -72.36 -46.25 56.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -42.38 -57.57 2.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.574 ' CZ ' HD11 ' A' ' 85' ' ' ILE . 29.9 t80 -49.01 -37.24 19.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.466 ' CE3' HD13 ' A' ' 33' ' ' LEU . 43.2 t90 -67.21 -60.07 2.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.69 HD11 HD22 ' A' ' 55' ' ' LEU . 31.3 mt -48.77 -45.13 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.55 88.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 65.7 m -46.98 -56.48 6.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -58.07 -36.84 73.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -69.79 -16.05 63.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.483 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 2.3 t80 -91.79 -30.74 16.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -63.85 -31.02 72.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -82.84 18.2 1.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.561 HG22 ' HG3' ' A' ' 73' ' ' MET . 28.2 mt -97.9 103.79 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.135 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' SD ' ' A' ' 73' ' ' MET . 0.0 OUTLIER -84.79 -39.34 18.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -41.48 136.55 1.85 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.678 0.751 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -29.54 23.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.621 2.214 . . . . 0.0 112.37 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.67 -59.55 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.463 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -46.86 -46.13 20.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.561 ' HG3' HG22 ' A' ' 67' ' ' ILE . 11.5 mtp -50.18 -38.11 38.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.35 -57.39 2.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -53.27 -56.84 13.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -48.05 -47.87 33.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.98 -46.23 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.482 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 2.3 pttp -67.25 -38.33 84.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.963 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.482 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 26.1 mt-30 -54.55 -50.41 68.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.5 mt -64.39 -29.38 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.741 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.4 OUTLIER -75.14 -45.77 38.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.535 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 14.6 mt-10 -65.07 -8.28 15.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.79 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 12.8 tt0 -106.16 -52.48 2.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -101.88 -54.75 2.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.69 HG22 ' HE2' ' A' ' 100' ' ' LYS . 1.2 mm -78.97 29.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.648 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.76 148.6 27.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.981 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.451 HG22 ' HG2' ' A' ' 88' ' ' GLU . 23.2 m -58.26 120.93 9.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.451 ' HG2' HG22 ' A' ' 87' ' ' THR . 25.2 mm-40 53.15 27.68 6.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.79 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -49.88 164.46 0.36 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.704 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.7 Cg_endo -69.79 -33.97 15.41 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.339 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -121.89 16.78 10.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.725 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 28.5 tt0 -42.58 103.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.4 m -57.8 176.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -91.75 98.02 11.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.536 HG23 HD11 ' A' ' 122' ' ' ILE . 2.0 pt -142.18 111.59 2.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -47.59 161.39 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -50.71 -38.45 47.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.403 ' O ' HG12 ' A' ' 102' ' ' ILE . 22.6 t80 -48.63 -68.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.9 m -61.95 -53.29 57.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.69 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -43.79 -46.16 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.66 -45.19 93.98 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 98' ' ' PHE . 14.5 mm -44.91 -64.37 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.8 m -40.11 -52.84 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.6 mtp -46.97 -56.65 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.436 ' O ' HG12 ' A' ' 108' ' ' VAL . 15.4 mtpt -60.71 -16.31 38.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -95.29 -0.25 53.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.741 HD11 ' CD2' ' A' ' 81' ' ' TYR . 87.6 mt -89.25 1.47 55.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.45 HG13 ' N ' ' A' ' 109' ' ' GLU . 7.2 p -88.22 -42.92 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 6.1 mm-40 -132.76 45.0 1.47 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.673 0.749 . . . . 0.0 110.841 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.8 Cg_endo -69.69 137.55 35.92 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.409 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 m -133.72 -68.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.949 0.405 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.7 mt -133.67 -43.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.4 m -89.11 22.62 2.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.2 m -50.13 -56.64 10.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -98.08 34.65 1.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -61.39 -34.48 75.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.411 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 3.9 tpp -86.09 -59.69 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.493 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -48.86 -36.44 17.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -66.64 -53.94 28.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 117' ' ' MET . 18.4 pttt -64.77 -30.34 71.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.447 ' CD ' ' C ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -64.99 -59.06 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.803 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.536 HD11 HG23 ' A' ' 95' ' ' ILE . 8.0 mm -60.43 -40.62 84.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -57.12 -38.31 73.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.85 -20.47 63.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 129' ' ' ASP . 0.5 OUTLIER -85.52 -45.89 11.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.429 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 46.0 mtm -67.83 -10.97 57.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.605 ' O ' HD23 ' A' ' 131' ' ' LEU . 8.7 pt-20 -97.91 -25.75 14.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.431 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -112.29 -1.32 15.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 125' ' ' LEU . 37.3 t0 -116.43 -65.92 1.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 134' ' ' PHE . 5.1 p -79.99 -52.45 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.646 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.8 tp -39.72 -51.92 5.09 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.606 0.717 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.646 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.5 Cg_endo -69.71 -22.33 32.44 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.635 2.223 . . . . 0.0 112.424 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.452 ' NH1' ' OE2' ' A' ' 49' ' ' GLU . 6.9 mtp-105 -96.07 -13.27 23.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 130' ' ' SER . 25.5 t80 -85.98 -38.15 18.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.415 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 28.8 m -62.51 -38.51 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 23.7 mtm105 -65.1 -40.82 95.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 49.7 p -62.27 136.35 57.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.511 ' OE1' ' N ' ' A' ' 138' ' ' GLU . 0.2 OUTLIER -38.72 -41.0 0.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 138' ' ' GLU . 96.2 m-85 -34.57 -40.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.825 ' HA ' HD12 ' A' ' 143' ' ' LEU . 44.6 t80 -87.7 -45.61 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -48.43 -34.06 10.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -76.85 -27.0 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.825 HD12 ' HA ' ' A' ' 140' ' ' TYR . 31.5 mt -68.19 -35.0 77.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.437 HG22 ' HB3' ' A' ' 22' ' ' ALA . 26.6 pt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.048 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.46 ' C ' HD13 ' A' ' 19' ' ' LEU . 1.3 tm? -60.39 -56.83 16.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.608 ' HA ' HD12 ' A' ' 23' ' ' LEU . 1.1 m-20 -54.66 -15.29 1.72 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' GLN . 8.5 tt0 -87.75 -56.78 3.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.575 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -42.06 -31.48 0.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.7 mt -75.5 -37.65 60.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' GLU . 27.3 mt-30 -55.2 -18.29 5.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.973 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.688 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 34.8 m0 -71.27 -23.27 61.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -71.5 -49.41 41.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -47.91 -57.4 5.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m -134.89 133.48 39.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.426 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 6.4 tp -52.59 -46.83 67.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 31' ' ' LYS . 7.9 t70 -37.19 -64.49 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.484 ' C ' ' HG2' ' A' ' 34' ' ' GLN . 14.8 mmtm -35.54 -38.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.494 ' HA ' ' CD1' ' A' ' 25' ' ' TRP . 28.4 tp -69.48 -61.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.977 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.402 HD11 HD21 ' A' ' 29' ' ' LEU . 24.4 mt -51.96 -53.27 43.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.484 ' HG2' ' C ' ' A' ' 31' ' ' LYS . 12.5 pt20 -46.38 -38.22 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.482 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 6.2 m120 -85.66 121.89 28.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.68 -51.22 61.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -50.88 -60.67 2.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.72 -42.86 91.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.486 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.0 tp -59.71 -63.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.845 0.355 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.7 -51.96 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.2 m -67.16 -42.91 83.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.809 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -53.62 -39.78 65.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.594 ' HG2' HD13 ' A' ' 55' ' ' LEU . 35.3 mtpt -63.97 -63.44 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 t -39.63 -42.96 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -54.97 -56.21 22.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.432 ' HB3' ' C ' ' A' ' 51' ' ' SER . 82.1 mt -53.93 -48.09 70.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -50.04 -48.06 53.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m -67.67 -12.26 60.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -112.37 0.46 15.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 61.93 34.42 16.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.432 ' C ' ' HB3' ' A' ' 46' ' ' LEU . 19.2 m -131.28 34.37 4.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.782 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -80.43 -10.08 59.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.472 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 11.3 pm0 -66.99 -36.09 81.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.472 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 8.6 m-20 -56.33 -47.73 78.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.775 HD22 ' CD1' ' A' ' 59' ' ' ILE . 1.2 tt -67.86 -42.14 81.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -48.51 -52.15 23.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.576 ' CZ ' HD11 ' A' ' 85' ' ' ILE . 17.9 t80 -54.29 -33.42 58.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -72.62 -58.61 3.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.775 ' CD1' HD22 ' A' ' 55' ' ' LEU . 40.2 mt -48.81 -46.06 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.8 88.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.06 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 88.5 m -48.14 -62.86 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -48.81 -41.87 34.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -65.08 -23.83 67.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.567 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -85.5 -27.0 25.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.832 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -69.88 -29.14 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -83.01 10.5 7.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.627 HG22 ' HG3' ' A' ' 73' ' ' MET . 20.1 mt -90.86 127.6 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -108.29 -31.88 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.775 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 m -48.65 133.9 13.78 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -20.56 34.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.03 -41.34 10.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.477 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 5.3 tptt -67.66 -49.96 60.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.627 ' HG3' HG22 ' A' ' 67' ' ' ILE . 9.4 mtp -47.82 -33.34 7.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.472 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.71 -60.48 1.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -52.41 -59.2 4.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.811 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 40.4 tptt -46.14 -39.83 10.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -54.23 -51.17 65.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -30.49 71.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -62.75 -49.07 76.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.0 mt -64.48 -29.41 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.611 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -78.13 -44.0 27.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.494 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 13.5 mm-40 -66.63 -8.24 25.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.833 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 12.5 tt0 -106.66 -52.64 2.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -100.01 -54.0 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.674 HG22 ' HE2' ' A' ' 100' ' ' LYS . 1.2 mm -80.16 27.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.672 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.1 OUTLIER -106.25 149.14 27.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.455 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 29.4 m -55.73 129.37 39.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 42.08 35.94 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.833 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -55.38 163.89 1.63 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 111.053 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.704 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 54.4 Cg_endo -69.69 -34.23 15.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.766 2.311 . . . . 0.0 112.319 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -121.28 22.41 10.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -39.76 129.12 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 57' ' ' PHE . 34.9 m -88.98 175.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -92.5 98.1 11.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -142.17 111.96 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.16 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 97' ' ' HIS . 35.8 t70 -51.62 146.23 7.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 96' ' ' ASP . 38.8 m80 -34.12 -41.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.797 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -47.21 -65.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.6 m -64.54 -56.61 12.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.674 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -43.59 -28.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -82.1 -41.77 20.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.8 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.5 mm -50.46 -55.65 5.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.6 m -48.13 -47.25 34.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.6 mtp -51.03 -55.02 19.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp -63.47 -21.21 66.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -90.1 4.98 48.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.595 HD11 ' CD2' ' A' ' 81' ' ' TYR . 18.9 mt -91.01 -3.34 57.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.467 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 13.3 t -78.93 -60.98 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.512 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 5.2 mm-40 -117.93 49.96 1.04 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.6 Cg_endo -69.75 131.24 20.83 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.407 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.6 t -129.44 -68.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 112' ' ' LEU . 12.2 mt -133.05 -44.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.1 m -90.84 22.81 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.402 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 2.2 p -61.3 -38.6 87.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.87 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -111.37 40.29 2.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -73.1 -46.25 52.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 4.2 tpp -68.86 -62.35 1.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.551 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -48.16 -44.95 32.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -58.52 -58.52 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -29.0 69.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.427 ' CD ' ' C ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -67.01 -52.01 47.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 122' ' ' ILE . 7.3 mm -70.57 -40.95 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -56.41 -35.36 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.5 -20.06 60.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.6 OUTLIER -83.58 -44.87 14.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.977 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.432 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 27.8 mtm -72.46 -10.03 59.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.825 ' O ' HD23 ' A' ' 131' ' ' LEU . 6.0 pt-20 -97.38 -27.06 14.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.46 -3.4 15.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 33.2 t0 -114.07 -66.25 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 133' ' ' ARG . 15.2 m -78.43 -55.58 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.825 HD23 ' O ' ' A' ' 127' ' ' GLU . 4.1 tp -35.33 -53.93 1.2 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.572 0.701 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 54.0 Cg_endo -69.75 -26.92 27.14 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 130' ' ' SER . 80.7 mtm180 -89.4 -12.76 39.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 130' ' ' SER . 12.9 t80 -87.37 -35.99 18.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.527 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 17.7 m -62.5 -40.29 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.1 mtm105 -64.17 -28.0 69.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.1 p -73.65 138.23 44.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 140' ' ' TYR . 1.2 mt-10 -39.32 -51.58 2.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.491 ' C ' ' O ' ' A' ' 138' ' ' GLU . 55.9 m-85 -30.18 -39.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.624 ' HA ' HD12 ' A' ' 143' ' ' LEU . 63.2 t80 -87.27 -53.2 4.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.678 ' HA ' HD11 ' A' ' 144' ' ' ILE . 66.4 mm-40 -43.81 -32.64 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 6.4 pt-20 -75.98 -31.66 59.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.688 HD13 ' HZ3' ' A' ' 25' ' ' TRP . 73.8 mt -56.39 -31.53 63.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.841 HD13 ' H ' ' A' ' 144' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.468 HD21 ' HB ' ' A' ' 144' ' ' ILE . 0.9 OUTLIER -50.84 -58.83 4.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.693 ' HA ' HD12 ' A' ' 23' ' ' LEU . 5.4 m-20 -54.24 -18.19 3.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 24' ' ' GLN . 8.9 tt0 -84.08 -58.61 2.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.426 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -41.19 -31.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.9 mt -74.94 -38.15 61.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 21' ' ' GLU . 11.2 mt-30 -56.29 -15.63 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.803 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 44.8 m0 -74.52 -22.64 58.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 13.6 mtp-105 -72.07 -34.63 68.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -61.26 -56.01 25.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.2 m -135.04 128.74 32.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.409 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 6.1 tp -51.75 -39.27 58.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -45.87 -55.69 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.467 ' C ' ' HG2' ' A' ' 34' ' ' GLN . 14.6 mttm -45.89 -33.41 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.8 tp -71.97 -58.25 3.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.5 mt -53.81 -53.12 56.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.484 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 13.4 pt20 -45.18 -40.0 6.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.964 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.484 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 3.2 t-20 -80.98 116.33 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -48.36 -47.95 36.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.429 ' CE2' ' CD2' ' A' ' 143' ' ' LEU . 2.2 t80 -55.68 -60.96 2.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.93 -42.46 80.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.429 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.5 tp -59.13 -63.45 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.981 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -40.93 -53.78 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 m -65.78 -37.97 87.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.412 ' O ' HD13 ' A' ' 46' ' ' LEU . 37.1 t80 -58.75 -36.98 75.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.832 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.518 ' HG2' HD13 ' A' ' 55' ' ' LEU . 34.9 mtpt -66.04 -65.54 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.0 t -41.94 -41.04 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.49 ' CZ ' ' O ' ' A' ' 133' ' ' ARG . 33.7 t80 -55.72 -40.09 71.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 52' ' ' GLU . 5.6 mp -74.17 -49.77 22.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -41.39 -38.73 1.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -69.31 -34.76 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.772 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.548 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 4.0 mm-40 -94.93 14.0 23.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 2.7 p90 47.23 31.35 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.6 m -119.59 27.6 8.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.485 ' HA ' HD23 ' A' ' 46' ' ' LEU . 3.6 tt0 -74.88 -26.75 59.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -49.47 -37.16 25.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.434 ' HA ' HG12 ' A' ' 93' ' ' VAL . 10.0 m-20 -55.12 -46.69 75.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.646 HD22 ' CD1' ' A' ' 59' ' ' ILE . 0.5 OUTLIER -67.71 -49.54 62.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -41.14 -49.74 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.55 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 23.5 t80 -54.5 -34.78 62.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.427 ' N ' ' O ' ' A' ' 55' ' ' LEU . 52.1 t90 -72.37 -63.68 1.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.646 ' CD1' HD22 ' A' ' 55' ' ' LEU . 36.0 mt -44.71 -42.39 2.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.041 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.25 -52.72 60.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 75.2 m -40.55 -56.87 1.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.94 -39.02 68.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -67.53 -19.91 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.498 ' HE2' ' HB2' ' A' ' 77' ' ' ALA . 3.3 t80 -86.79 -28.32 23.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -69.28 -33.38 73.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -75.31 3.4 9.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 10.0 mt -89.67 113.81 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -96.45 -29.85 13.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.445 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 1.3 t -46.74 138.52 6.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.567 0.698 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -32.93 17.7 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.67 2.246 . . . . 0.0 112.383 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.36 -54.73 4.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.475 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -51.91 -53.69 38.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.0 mtp -45.05 -32.26 1.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.76 -63.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.16 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -50.83 -56.43 12.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.804 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.405 ' HG2' ' CD1' ' A' ' 67' ' ' ILE . 20.0 tptm -49.35 -42.69 42.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.498 ' HB2' ' HE2' ' A' ' 64' ' ' TYR . . . -52.95 -40.76 63.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.073 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.501 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 12.3 pttt -68.63 -37.08 79.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.501 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 20.1 mt-30 -55.09 -56.24 22.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 34.8 mt -58.05 -22.72 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.777 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.4 OUTLIER -83.85 -42.74 16.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.474 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 15.2 mt-10 -69.95 -9.75 56.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.957 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.803 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 12.1 tt0 -103.95 -46.72 4.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.434 ' C ' ' H ' ' A' ' 86' ' ' GLN . 79.9 m-85 -106.18 -55.65 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.561 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.4 mm -76.98 26.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.177 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.474 ' HB2' ' HA ' ' A' ' 82' ' ' GLU . 0.3 OUTLIER -106.3 142.37 36.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.472 HG22 ' HG3' ' A' ' 88' ' ' GLU . 96.9 m -50.03 129.64 20.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.472 ' HG3' HG22 ' A' ' 87' ' ' THR . 13.7 mt-10 47.37 30.54 1.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.812 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.803 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -51.32 158.67 1.3 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.52 0.676 . . . . 0.0 111.105 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.531 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.8 Cg_endo -69.75 -29.68 23.51 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.613 2.209 . . . . 0.0 112.354 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -122.58 16.87 10.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.559 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 35.1 tt0 -39.6 103.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.434 HG12 ' HA ' ' A' ' 54' ' ' ASN . 26.4 m -61.71 179.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.156 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -93.91 97.61 10.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.443 HG23 HD11 ' A' ' 122' ' ' ILE . 1.6 pt -146.58 113.09 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -50.87 156.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -45.99 -37.04 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -50.73 -69.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.3 m -60.17 -48.96 79.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.536 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -47.04 -50.62 19.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -56.21 -46.37 79.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.4 mm -43.35 -64.03 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 93.2 m -42.83 -49.35 5.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mtp -50.36 -55.12 17.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -62.86 -19.91 64.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -92.35 4.89 52.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.777 HD11 ' CD2' ' A' ' 81' ' ' TYR . 25.2 mt -90.06 -3.16 58.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.404 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 17.2 t -76.92 -60.85 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.507 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 1.4 pt-20 -120.95 50.8 2.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.73 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.4 Cg_endo -69.61 134.23 27.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.5 m -128.19 -70.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.5 mt -131.69 -44.33 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.959 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.8 p -85.69 20.73 2.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.7 m -48.29 -61.0 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -97.57 34.07 1.91 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -58.68 -35.44 72.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 8.0 tpp -84.65 -55.1 4.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.55 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -53.66 -41.24 66.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.08 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -61.21 -54.1 48.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -65.93 -30.56 71.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.494 ' CD ' ' C ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -64.42 -52.11 59.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.443 HD11 HG23 ' A' ' 95' ' ' ILE . 7.3 mm -67.77 -42.89 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -56.41 -39.78 73.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 127' ' ' GLU . . . -67.58 -19.79 65.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.042 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.91 -54.42 4.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 32.5 mtm -60.67 -9.93 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.73 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.8 pt-20 -99.36 -22.62 15.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -110.27 -7.21 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 133' ' ' ARG . 5.7 m-20 -118.85 -66.01 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 134' ' ' PHE . 48.9 m -71.27 -50.34 33.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 127' ' ' GLU . 3.5 tp -45.4 -55.42 11.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.584 0.706 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.0 Cg_endo -69.8 -23.14 30.96 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.49 ' O ' ' CZ ' ' A' ' 45' ' ' PHE . 14.7 mmp_? -91.91 -13.8 30.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 130' ' ' SER . 9.1 t80 -85.35 -37.88 19.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.434 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 34.4 m -65.19 -16.18 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -79.31 -39.37 33.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 138' ' ' GLU . 23.4 p -69.51 133.5 47.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.788 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 139' ' ' PHE . 1.1 pm0 -34.96 -41.97 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.47 ' C ' ' O ' ' A' ' 138' ' ' GLU . 84.3 m-85 -32.35 -43.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.551 ' O ' HD13 ' A' ' 144' ' ' ILE . 60.0 t80 -84.12 -53.18 5.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.955 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.689 ' HA ' HD11 ' A' ' 144' ' ' ILE . 82.2 mm-40 -41.38 -34.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 139' ' ' PHE . 9.3 pt-20 -74.58 -34.88 62.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.803 HD13 ' HZ3' ' A' ' 25' ' ' TRP . 75.3 mt -53.11 -35.08 59.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.838 HD13 ' H ' ' A' ' 144' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.086 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.904 0.383 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.426 ' CD1' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -45.53 -62.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.553 ' HA ' HD12 ' A' ' 23' ' ' LEU . 77.7 m-20 -47.65 -19.62 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 24' ' ' GLN . 3.3 tp10 -88.99 -56.59 3.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.435 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -42.31 -31.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.5 mt -76.15 -36.05 58.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 21' ' ' GLU . 16.6 mt-30 -54.56 -22.0 11.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.519 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 38.3 m0 -71.06 -23.44 62.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.409 ' HA ' HD11 ' A' ' 131' ' ' LEU . 15.0 mtp-105 -70.08 -43.87 70.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -56.49 -62.0 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 t -129.09 126.96 40.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 4.9 tp -50.32 -37.11 35.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -45.15 -55.96 5.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HA ' ' HG2' ' A' ' 34' ' ' GLN . 15.4 mmtt -44.84 -27.14 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 17.0 tp -79.9 -48.71 13.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.7 mt -63.93 -41.24 97.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.401 ' HG2' ' HA ' ' A' ' 31' ' ' LYS . 1.4 pp0? -63.93 -36.58 84.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.472 ' O ' ' C ' ' A' ' 36' ' ' ASN . 3.3 t-20 -78.37 97.8 5.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.472 ' C ' ' O ' ' A' ' 35' ' ' ASN . 13.6 p-10 -32.62 -54.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.38 -51.74 63.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.57 -49.08 82.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.8 tp -55.08 -61.23 2.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.21 -59.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.095 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -59.25 -44.4 92.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -51.44 -43.47 62.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.69 ' HG2' HD13 ' A' ' 55' ' ' LEU . 36.8 mtpt -59.38 -62.94 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 t -41.26 -46.72 3.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -51.17 -41.15 59.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.792 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 49' ' ' GLU . 89.3 mt -67.53 -54.62 18.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.426 ' HG3' ' CD ' ' A' ' 52' ' ' GLU . 15.1 mtpp -39.87 -34.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.0 t -79.11 -36.39 40.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.543 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 5.1 mm-40 -91.21 17.54 8.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 27.9 p90 45.65 31.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.7 m -120.5 27.77 8.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.426 ' CD ' ' HG3' ' A' ' 47' ' ' LYS . 7.0 tt0 -71.84 -24.09 61.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 91' ' ' LYS . 4.3 pt-20 -60.93 -31.15 70.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -59.1 -52.44 65.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.69 HD13 ' HG2' ' A' ' 43' ' ' LYS . 1.3 tt -66.08 -43.9 86.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -45.54 -55.77 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.468 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 25.5 t80 -50.22 -34.97 24.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 59.9 t90 -69.3 -61.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.662 HD11 HD22 ' A' ' 55' ' ' LEU . 22.7 mt -46.46 -45.01 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.33 -51.05 69.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 44.4 m -43.92 -52.84 6.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.85 -44.23 97.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.05 -20.2 65.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.556 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -85.25 -34.73 21.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -63.78 -32.13 73.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -83.58 19.89 1.51 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.486 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 42.3 mt -93.95 114.65 31.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.21 -21.6 19.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 m -60.63 133.37 91.55 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.682 0.753 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -34.57 14.45 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -82.54 -36.95 25.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.486 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -67.96 -48.24 66.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.439 ' HG3' HG22 ' A' ' 67' ' ' ILE . 8.2 mtp -47.5 -37.66 12.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -89.87 -58.25 2.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 4.8 mm-40 -51.09 -59.52 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 31.9 tptt -47.98 -43.85 29.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -48.16 -51.8 23.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.048 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.491 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 8.1 ptmt -60.04 -39.73 86.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.491 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 10.7 mt-30 -52.89 -57.6 9.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.9 mt -55.05 -26.9 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.604 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -79.2 -45.71 19.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.505 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.6 mt-10 -66.15 -8.66 25.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.883 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 14.3 tt0 -105.45 -52.15 2.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -100.82 -54.2 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.558 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.61 28.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.714 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -106.92 151.15 25.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.521 HG22 ' HG3' ' A' ' 88' ' ' GLU . 19.5 m -62.95 125.97 25.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.521 ' HG3' HG22 ' A' ' 87' ' ' THR . 16.9 mt-10 52.94 27.98 6.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.883 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -53.82 159.37 2.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.571 0.7 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.546 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 54.6 Cg_endo -69.71 -28.82 25.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.609 2.206 . . . . 0.0 112.43 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 53' ' ' GLU . 8.1 mtpp -123.63 17.65 9.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 38.9 tt0 -41.26 96.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.481 HG23 HG12 ' A' ' 95' ' ' ILE . 35.1 m -55.23 178.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -94.35 98.83 11.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.481 HG12 HG23 ' A' ' 93' ' ' VAL . 1.5 pt -146.52 113.25 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.154 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -53.01 154.64 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.803 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -44.4 -34.78 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.804 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -50.77 -70.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 63.4 m -62.83 -43.73 98.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.178 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.05 -49.58 40.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.22 -45.19 91.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.3 mm -43.6 -64.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 94.4 m -42.14 -51.95 4.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.3 mtp -47.82 -55.38 9.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -61.9 -21.68 64.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -91.08 7.04 42.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.545 HD11 ' CD2' ' A' ' 81' ' ' TYR . 40.9 mt -92.3 -2.69 56.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.967 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.409 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 14.5 t -78.37 -59.18 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 2.8 mm-40 -121.18 50.14 1.98 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.7 Cg_endo -69.74 133.03 24.62 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.1 m -127.65 -69.17 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.8 mt -133.08 -44.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 92.0 p -88.2 21.64 2.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.793 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.4 p -57.17 -40.16 76.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.408 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 98.5 m-85 -111.99 43.23 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -49.24 35.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 7.0 tpp -69.02 -56.64 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.468 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -52.36 -46.55 66.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.408 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 39.0 tt0 -57.21 -56.62 19.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -63.72 -29.62 70.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.407 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -64.38 -51.44 63.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 122' ' ' ILE . 10.9 mm -71.04 -43.12 76.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -54.93 -36.84 65.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' ' 127' ' ' GLU . . . -72.19 -23.83 61.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.086 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.17 -40.41 27.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 37.6 mtm -74.29 -10.94 60.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.529 ' O ' HD23 ' A' ' 131' ' ' LEU . 3.8 pt-20 -99.86 -21.84 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 132' ' ' PRO . 8.5 ptmt -109.74 -9.31 14.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -115.81 -65.09 1.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 134' ' ' PHE . 44.8 m -71.87 -57.41 4.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.569 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.8 tp -37.75 -55.95 1.96 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.595 0.712 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.2 Cg_endo -69.87 -21.05 33.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.294 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 130' ' ' SER . 60.7 mtt180 -94.31 -12.93 27.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 130' ' ' SER . 23.4 t80 -88.59 -29.5 19.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.519 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 30.5 m -68.13 -34.03 64.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -75.85 -27.57 57.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 138' ' ' GLU . 28.4 p -73.11 138.17 45.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 140' ' ' TYR . 0.8 OUTLIER -37.06 -52.8 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.504 ' C ' ' O ' ' A' ' 138' ' ' GLU . 63.8 m-85 -29.07 -40.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.712 ' HA ' HD12 ' A' ' 143' ' ' LEU . 53.3 t80 -83.49 -48.47 10.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 138' ' ' GLU . 76.3 mm-40 -48.15 -32.25 6.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -79.11 -25.18 43.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' A' ' 140' ' ' TYR . 33.2 mt -73.98 -32.86 63.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.674 HD13 ' HE1' ' A' ' 140' ' ' TYR . 29.7 pt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.913 0.387 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.49 -60.28 3.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.72 ' HA ' HD12 ' A' ' 23' ' ' LEU . 8.3 m-20 -54.69 -14.63 1.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 24' ' ' GLN . 18.1 tt0 -86.54 -59.08 2.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.59 -35.2 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.169 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.72 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.7 mt -69.84 -38.03 76.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' GLU . 33.9 mt-30 -55.89 -22.03 23.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.613 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 48.3 m0 -71.45 -21.33 61.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -78.49 -41.64 31.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -55.06 -57.84 10.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -134.27 122.71 23.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 tp -44.63 -45.92 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 31' ' ' LYS . 11.1 t0 -36.7 -64.36 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 30' ' ' ASP . 16.7 mmtm -35.46 -43.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.412 HD12 ' HA3' ' A' ' 38' ' ' GLY . 26.1 tp -62.73 -66.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.8 mt -47.78 -46.64 30.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -55.57 -44.58 76.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -72.35 127.75 33.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -58.79 -45.61 89.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.43 ' CE2' HD23 ' A' ' 143' ' ' LEU . 2.0 t80 -61.12 -54.48 44.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.412 ' HA3' HD12 ' A' ' 32' ' ' LEU . . . -60.39 -46.75 93.74 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.433 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.5 tp -55.06 -61.63 2.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.21 -60.29 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.032 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -57.96 -46.85 84.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -49.22 -46.37 45.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.607 ' HG2' HD13 ' A' ' 55' ' ' LEU . 35.8 mtpt -58.72 -62.62 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 t -41.66 -41.66 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 134' ' ' PHE . 44.4 t80 -59.44 -49.91 75.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.59 HD22 ' O ' ' A' ' 51' ' ' SER . 74.6 mt -55.06 -46.11 75.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -51.15 -52.63 42.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.0 t -60.46 -30.99 70.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.446 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 39.7 mm-40 -88.64 -12.88 41.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 46' ' ' LEU . 24.4 m-85 72.04 34.7 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.815 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.59 ' O ' HD22 ' A' ' 46' ' ' LEU . 65.2 m -130.89 37.04 3.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -76.54 -22.61 54.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 91' ' ' LYS . 4.7 pt-20 -57.36 -32.78 67.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -59.7 -52.53 65.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.703 HD22 HD11 ' A' ' 59' ' ' ILE . 1.2 tt -63.84 -46.8 83.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -41.75 -57.73 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.463 ' HB2' HG11 ' A' ' 93' ' ' VAL . 24.1 t80 -49.24 -36.25 19.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -68.12 -60.64 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.703 HD11 HD22 ' A' ' 55' ' ' LEU . 27.4 mt -47.59 -46.38 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.4 -46.86 86.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.7 m -51.99 -56.15 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.04 -36.94 78.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -69.51 -34.09 73.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.543 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -64.66 -36.15 83.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.8 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.6 mttt -61.51 -30.1 70.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -67.66 -2.63 7.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.946 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.516 HG22 ' HG3' ' A' ' 73' ' ' MET . 57.4 mt -88.56 130.35 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.35 -25.21 8.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -53.21 139.8 44.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.656 0.741 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -15.45 37.34 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.9 -60.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.486 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -49.34 -40.41 35.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.516 ' HG3' HG22 ' A' ' 67' ' ' ILE . 12.6 mtp -57.0 -33.88 67.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.46 -53.08 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.467 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . 9.5 mt-10 -57.98 -58.1 9.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 27.2 tptt -49.92 -33.06 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -58.81 -44.54 90.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.087 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 75' ' ' GLU . 1.7 ptpt -69.33 -38.0 77.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -52.93 -50.88 63.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.8 mt -64.01 -29.13 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.75 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.5 OUTLIER -74.81 -45.79 41.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.492 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 4.9 mm-40 -66.11 -8.54 24.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.856 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 18.1 tt0 -104.84 -53.38 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -99.99 -53.63 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.544 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.21 25.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.697 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.4 152.96 22.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.5 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 46.1 m -58.74 132.76 54.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.424 ' HG2' HG22 ' A' ' 87' ' ' THR . 19.2 pt-20 40.54 32.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.856 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -52.73 162.66 0.92 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 0.0 111.073 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.65 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.5 Cg_endo -69.74 -32.72 18.09 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.636 2.224 . . . . 0.0 112.366 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 53' ' ' GLU . 8.7 mtpp -124.02 19.54 9.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.787 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 48.4 tt0 -45.87 97.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.463 HG11 ' HB2' ' A' ' 57' ' ' PHE . 34.1 m -51.82 -179.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -94.83 103.25 15.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -150.39 113.07 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -53.13 160.85 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -47.83 -35.67 10.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -51.71 -70.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.467 HG21 ' HG3' ' A' ' 121' ' ' ARG . 90.6 m -59.9 -51.61 68.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.446 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -45.55 -49.86 13.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.72 -46.76 81.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.5 mm -43.62 -66.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 88.7 m -39.44 -51.57 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.8 mtp -48.43 -57.05 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.492 ' O ' HG12 ' A' ' 108' ' ' VAL . 6.8 mtpp -60.1 -17.38 39.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -92.88 -3.37 54.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.75 HD11 ' CD2' ' A' ' 81' ' ' TYR . 92.9 mt -85.07 4.4 34.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 105' ' ' LYS . 7.3 p -92.03 -42.94 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.618 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 38.5 mm-40 -130.8 43.53 1.14 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.615 0.721 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.6 Cg_endo -69.71 135.71 31.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.383 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.6 t -133.4 -67.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 112' ' ' LEU . 10.1 mt -134.81 -38.9 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 51.2 p -95.74 24.16 5.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.1 m -53.85 -49.59 68.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.432 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 42.7 m-85 -102.83 38.81 1.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -64.17 -41.89 96.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 6.2 tpp -78.76 -59.59 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.438 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -49.41 -41.41 39.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.432 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 46.4 tt0 -60.94 -56.9 15.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -27.66 69.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.467 ' HG3' HG21 ' A' ' 99' ' ' THR . 0.2 OUTLIER -65.0 -51.35 62.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 122' ' ' ILE . 11.7 mm -69.93 -42.98 79.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -54.85 -35.86 64.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 127' ' ' GLU . . . -73.87 -21.4 60.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.81 -44.67 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.413 ' SD ' ' HA ' ' A' ' 55' ' ' LEU . 42.6 mtm -67.44 -10.87 55.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.616 ' O ' HD23 ' A' ' 131' ' ' LEU . 5.0 pt-20 -98.52 -21.94 16.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.438 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -112.02 -5.32 14.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 132' ' ' PRO . 16.7 t0 -115.43 -67.33 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 134' ' ' PHE . 22.5 p -75.56 -53.22 8.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 127' ' ' GLU . 5.1 tp -39.79 -54.25 4.23 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.66 0.743 . . . . 0.0 110.962 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 52.7 Cg_endo -69.83 -19.8 35.32 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.672 2.248 . . . . 0.0 112.326 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.5 mmm180 -96.05 -14.08 23.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 130' ' ' SER . 20.2 t80 -87.65 -40.39 14.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.448 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 33.0 m -64.0 -23.45 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -71.75 -41.0 68.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 138' ' ' GLU . 53.4 p -69.27 135.37 50.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.786 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 139' ' ' PHE . 1.2 mt-10 -36.27 -36.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 138' ' ' GLU . 72.8 m-85 -34.55 -42.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.873 ' HA ' HD12 ' A' ' 143' ' ' LEU . 69.5 t80 -83.71 -43.39 15.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -52.94 -34.93 57.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -74.76 -17.12 60.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.873 HD12 ' HA ' ' A' ' 140' ' ' TYR . 33.9 mt -80.5 -21.95 41.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 26.2 pt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.874 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.955 0.407 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 19' ' ' LEU . 1.2 tm? -58.75 -56.34 23.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.597 ' HA ' HD12 ' A' ' 23' ' ' LEU . 3.5 m-20 -53.03 -22.37 5.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 24' ' ' GLN . 3.8 tp10 -81.72 -58.48 2.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.421 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -38.53 -35.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.116 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.3 mt -71.69 -39.72 70.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 21' ' ' GLU . 24.1 mt-30 -55.95 -21.89 23.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.421 ' CE3' ' HA ' ' A' ' 22' ' ' ALA . 45.2 m0 -69.64 -18.69 63.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -79.34 -36.68 39.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -53.19 -58.67 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.2 t -135.46 136.41 41.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.82 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.5 tp -53.3 -42.33 66.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' LYS . 4.7 m-20 -46.06 -61.75 1.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.2 mtpm? -36.41 -41.89 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 30.6 tp -66.34 -63.72 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.498 HD13 ' CE3' ' A' ' 58' ' ' TRP . 74.1 mt -48.15 -50.41 28.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -50.59 -45.64 57.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -72.19 124.62 25.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -57.2 -46.94 82.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.48 -57.14 14.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.958 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.2 -40.41 95.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.2 tp -61.34 -63.11 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -40.33 -52.23 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.9 m -65.63 -45.74 81.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.768 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.41 ' HZ ' ' HG ' ' A' ' 130' ' ' SER . 18.8 t80 -50.74 -43.79 58.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.633 ' HG2' HD13 ' A' ' 55' ' ' LEU . 39.0 mtpt -61.07 -64.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 t -38.94 -46.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.808 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.544 ' CZ ' ' HG3' ' A' ' 49' ' ' GLU . 29.3 t80 -54.3 -46.76 72.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.704 HD22 ' O ' ' A' ' 51' ' ' SER . 51.9 mt -57.5 -46.07 84.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -45.89 -53.83 9.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.8 t -62.62 -42.45 99.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.816 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.544 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 13.2 mm-40 -73.81 -14.67 61.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' LEU . 22.3 m-85 69.4 35.56 2.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.704 ' O ' HD22 ' A' ' 46' ' ' LEU . 36.5 m -131.19 36.61 3.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.839 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.571 ' HA ' HD13 ' A' ' 46' ' ' LEU . 8.5 tt0 -76.2 -23.07 54.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.48 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 25.6 pm0 -56.7 -32.03 65.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.48 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 4.7 m-20 -61.76 -49.52 76.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.664 HD22 ' CD1' ' A' ' 59' ' ' ILE . 0.8 OUTLIER -66.87 -51.27 57.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' CD ' ' HE2' ' A' ' 91' ' ' LYS . 13.6 mt-10 -39.09 -59.51 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -46.76 -34.25 5.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.498 ' CE3' HD13 ' A' ' 33' ' ' LEU . 39.2 t90 -72.46 -63.74 1.09 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.664 ' CD1' HD22 ' A' ' 55' ' ' LEU . 44.9 mt -44.34 -44.86 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.86 -54.31 48.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.144 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 51.9 m -42.59 -55.53 3.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -55.4 -41.25 72.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.84 -16.99 64.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.565 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -88.62 -27.25 21.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.003 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -68.79 -34.04 74.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -78.68 12.53 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.491 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 26.5 mt -90.24 113.83 26.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 69' ' ' SER . 2.8 pptp? -94.33 -32.4 13.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.405 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 3.1 m -49.62 134.16 19.31 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.66 0.743 . . . . 0.0 110.864 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.64 -29.01 25.15 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.696 2.264 . . . . 0.0 112.388 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.83 -45.4 12.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.491 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 2.8 tptm -60.4 -52.1 66.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.44 ' HG3' HG22 ' A' ' 67' ' ' ILE . 14.1 mtp -42.18 -39.63 2.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -88.04 -61.71 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.037 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -47.96 -56.21 8.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -51.09 -46.04 61.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.457 ' HB2' ' HE2' ' A' ' 64' ' ' TYR . . . -46.04 -48.13 16.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.14 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.498 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 4.1 pttp -62.73 -38.35 90.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.498 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 18.3 mt-30 -53.92 -51.46 63.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.9 mt -61.11 -29.61 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.604 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -76.58 -46.03 27.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.51 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 15.6 mt-10 -65.75 -8.28 20.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.862 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 20.6 tt0 -106.15 -52.15 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -100.78 -54.03 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.568 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.2 mm -80.24 28.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.182 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.681 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.52 150.52 25.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.483 HG22 ' HG3' ' A' ' 88' ' ' GLU . 20.2 m -61.17 123.18 16.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.483 ' HG3' HG22 ' A' ' 87' ' ' THR . 18.2 mt-10 53.45 27.51 6.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.862 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -50.69 161.4 0.65 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.54 0.686 . . . . 0.0 111.083 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.607 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.9 Cg_endo -69.82 -28.23 25.22 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.691 2.26 . . . . 0.0 112.306 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.404 ' HE2' ' CD ' ' A' ' 56' ' ' GLU . 8.7 mtpp -124.25 17.9 9.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.814 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 36.0 tt0 -40.19 99.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.415 HG23 HG12 ' A' ' 95' ' ' ILE . 29.0 m -58.92 -179.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -94.92 99.59 11.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.415 HG12 HG23 ' A' ' 93' ' ' VAL . 1.0 OUTLIER -149.25 112.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -50.92 162.39 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -50.17 -38.69 40.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -48.39 -69.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.405 HG21 ' HG3' ' A' ' 121' ' ' ARG . 22.2 m -60.94 -52.38 65.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.173 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.409 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -43.64 -46.41 7.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -60.76 -44.26 96.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.509 HG13 ' HE2' ' A' ' 117' ' ' MET . 30.8 mm -43.72 -63.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 89.0 m -43.08 -52.22 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.0 mtp -48.8 -57.13 6.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -60.43 -13.57 14.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -97.31 -0.05 47.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.564 HD11 ' CD2' ' A' ' 81' ' ' TYR . 98.1 mt -88.24 3.39 49.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 109' ' ' GLU . 7.4 p -90.73 -40.87 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.615 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 6.1 mm-40 -133.93 43.95 1.13 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.652 0.739 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.78 125.59 12.31 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.627 2.218 . . . . 0.0 112.399 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.4 t -120.1 -67.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 112' ' ' LEU . 9.6 mt -133.64 -45.28 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.1 p -90.63 24.01 2.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.458 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 6.1 p -53.37 -38.76 63.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.866 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.41 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 69.1 m-85 -115.32 48.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -78.64 -50.23 11.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.509 ' HE2' HG13 ' A' ' 102' ' ' ILE . 0.5 OUTLIER -65.42 -59.42 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.93 -43.17 63.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.15 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.41 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 5.2 tp60 -58.63 -58.74 7.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -61.08 -26.79 67.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.405 ' HG3' HG21 ' A' ' 99' ' ' THR . 0.0 OUTLIER -66.71 -53.06 37.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 122' ' ' ILE . 8.0 mm -68.07 -46.45 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.403 ' ND1' ' C ' ' A' ' 123' ' ' HIS . 3.6 t-80 -52.47 -36.49 54.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' ' 128' ' ' LYS . . . -72.21 -22.74 61.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -84.44 -35.2 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 50.3 mtm -75.55 -9.04 58.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.605 ' O ' HD23 ' A' ' 131' ' ' LEU . 3.3 pt-20 -96.76 -25.19 15.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 124' ' ' ALA . 2.7 pttp -112.65 -5.35 13.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.807 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 9.0 t0 -110.19 -67.17 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.878 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 133' ' ' ARG . 93.2 p -80.85 -54.91 5.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.618 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.1 tp -35.13 -53.04 1.17 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.6 Cg_endo -69.79 -27.89 25.77 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.298 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 130' ' ' SER . 19.1 mtp180 -87.42 -14.23 41.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 130' ' ' SER . 22.4 t80 -82.22 -52.69 6.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.443 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 32.5 m -53.74 -27.7 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -68.15 -47.85 66.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 138' ' ' GLU . 54.3 p -61.65 135.48 57.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 139' ' ' PHE . 3.7 mm-40 -36.39 -35.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' A' ' 138' ' ' GLU . 44.5 m-85 -34.07 -42.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.66 ' HA ' HD12 ' A' ' 143' ' ' LEU . 63.1 t80 -84.02 -49.27 9.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -44.72 -30.5 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 3.6 pt-20 -78.85 -32.25 45.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 140' ' ' TYR . 30.9 mt -64.32 -35.13 79.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 31.5 pt . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.867 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.05 -62.87 1.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.645 ' HA ' HD12 ' A' ' 23' ' ' LEU . 7.9 t0 -52.19 -19.63 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 24' ' ' GLN . 2.7 tp10 -82.29 -57.97 3.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.59 -33.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.8 mt -73.4 -38.56 65.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' GLU . 27.4 mt-30 -56.32 -19.54 14.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.793 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 46.8 m0 -71.28 -19.61 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 26' ' ' ARG . 37.1 mtp180 -76.26 -40.58 51.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.23 -60.28 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.0 t -134.08 129.22 35.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.771 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 tp -48.83 -40.34 28.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -47.1 -57.45 5.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -41.76 -36.33 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' A' ' 42' ' ' PHE . 32.4 tp -71.07 -62.09 1.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.7 mt -50.33 -48.73 55.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.961 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -49.44 -47.63 48.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -73.21 133.8 44.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -59.81 -58.08 10.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.409 ' CE2' ' CD2' ' A' ' 143' ' ' LEU . 1.9 t80 -49.73 -52.56 30.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.11 -47.53 90.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.51 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.8 tp -58.26 -65.03 0.71 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.795 0.331 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.39 -52.49 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 t -62.1 -53.1 60.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.427 ' HB2' HD21 ' A' ' 32' ' ' LEU . 33.2 t80 -46.47 -44.68 17.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -55.72 -61.13 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -44.27 -46.66 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -51.89 -45.77 64.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.568 HD22 ' O ' ' A' ' 51' ' ' SER . 80.0 mt -65.03 -43.41 92.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -48.54 -53.81 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m -65.29 -41.24 94.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -73.45 -12.76 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' LEU . 30.5 m-85 68.9 36.16 2.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.568 ' O ' HD22 ' A' ' 46' ' ' LEU . 31.9 m -130.98 35.31 3.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -75.29 -25.44 57.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.434 ' HB2' ' HB3' ' A' ' 91' ' ' LYS . 4.0 pt-20 -54.16 -36.58 63.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -57.75 -53.87 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.744 HD22 ' CD1' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -61.73 -51.03 70.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -39.22 -54.68 1.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.553 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 22.1 t80 -50.17 -35.71 27.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' LEU . 53.1 t90 -71.0 -60.12 2.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.744 ' CD1' HD22 ' A' ' 55' ' ' LEU . 36.1 mt -49.58 -46.88 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.83 -51.92 67.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.3 m -45.01 -64.08 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -48.03 -42.28 27.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -63.87 -25.81 68.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.599 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -82.52 -20.54 36.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.835 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.476 ' O ' HD22 ' A' ' 112' ' ' LEU . 14.7 mmtp -69.15 -34.08 74.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.843 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -81.09 19.36 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.915 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.57 HG22 ' HG3' ' A' ' 73' ' ' MET . 22.1 mt -96.18 116.07 37.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.41 ' HD3' ' C ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -99.59 -35.73 9.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -43.78 135.01 3.77 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.667 0.746 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 -26.39 28.15 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.36 -37.3 14.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.467 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 2.7 tptm -68.66 -50.09 53.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.57 ' HG3' HG22 ' A' ' 67' ' ' ILE . 8.8 mtp -46.93 -35.99 7.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.876 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.54 -59.35 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -50.94 -59.8 3.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.451 ' HG2' ' CD1' ' A' ' 67' ' ' ILE . 42.6 tptt -46.47 -46.73 19.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -47.06 -52.08 15.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.485 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -58.38 -38.31 77.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.485 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 55.8 mt-30 -54.01 -55.78 24.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 41.0 mt -57.64 -26.0 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.616 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -80.31 -43.56 21.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.493 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 9.2 mt-10 -67.89 -8.56 37.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.861 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 14.3 tt0 -105.78 -51.83 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -100.56 -53.89 2.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.557 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.72 26.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.715 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -106.21 154.97 19.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.47 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 91.3 m -59.86 135.61 57.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 37.55 31.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.806 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.861 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -51.28 160.66 0.88 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.583 0.706 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 54.4 Cg_endo -69.75 -29.39 23.99 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.732 2.288 . . . . 0.0 112.391 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.434 ' HB3' ' HB2' ' A' ' 53' ' ' GLU . 7.3 mtpp -123.97 17.61 9.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.579 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 25.2 tt0 -41.25 100.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.94 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.648 HG23 HG12 ' A' ' 95' ' ' ILE . 35.8 m -57.93 179.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -94.24 94.44 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.648 HG12 HG23 ' A' ' 93' ' ' VAL . 1.3 pt -143.46 112.92 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -52.03 163.07 0.39 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -51.83 -38.82 57.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -49.39 -64.96 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.448 HG21 ' HG3' ' A' ' 121' ' ' ARG . 38.1 m -64.93 -48.39 74.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.144 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.18 -44.86 22.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -61.9 -45.44 93.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.802 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.7 mm -44.77 -64.4 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.452 ' OG1' ' HB2' ' A' ' 118' ' ' ALA . 84.8 m -41.16 -52.24 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.3 mtp -47.57 -56.47 7.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.84 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -60.2 -19.56 54.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -92.17 6.29 47.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.564 HD11 ' CD2' ' A' ' 81' ' ' TYR . 40.4 mt -92.16 -1.99 56.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.0 t -77.41 -58.26 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 1.0 OUTLIER -124.19 50.69 3.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.73 . . . . 0.0 110.857 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.8 Cg_endo -69.75 132.02 22.47 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.727 2.285 . . . . 0.0 112.369 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.5 m -124.23 -71.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 65' ' ' LYS . 56.4 mt -131.93 -44.32 0.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.9 m -91.69 22.89 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.454 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 2.6 p -58.54 -41.21 85.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.869 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -106.41 31.67 5.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -59.68 -54.33 47.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.412 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 4.1 tpp -62.64 -60.87 2.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.553 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -47.65 -39.9 18.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.039 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -65.87 -54.81 21.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 117' ' ' MET . 3.1 pttp -63.08 -27.89 69.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.448 ' HG3' HG21 ' A' ' 99' ' ' THR . 0.2 OUTLIER -66.15 -60.03 3.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 122' ' ' ILE . 13.0 mm -61.21 -42.01 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.21 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -55.64 -37.1 67.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 127' ' ' GLU . . . -71.12 -19.16 62.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -86.7 -55.76 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.0 mtm -58.5 -10.65 2.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.62 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.9 pt-20 -97.28 -26.1 15.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 -1.27 15.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.1 t70 -116.58 -66.67 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 133' ' ' ARG . 5.3 p -79.49 -52.41 8.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.628 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.5 tp -38.91 -52.72 3.71 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.621 0.724 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.628 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.7 Cg_endo -69.75 -22.25 32.41 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.595 2.197 . . . . 0.0 112.382 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 130' ' ' SER . 38.0 mmm-85 -93.2 -14.67 26.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.0 t80 -85.92 -33.41 21.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.515 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 34.2 m -70.78 -22.98 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 27.5 mmm-85 -75.25 -46.82 31.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 91.7 p -57.24 169.46 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 139' ' ' PHE . 1.6 tt0 -68.56 -39.91 80.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 138' ' ' GLU . 94.6 m-85 -36.92 -39.4 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.515 ' CG ' ' HA ' ' A' ' 135' ' ' VAL . 63.1 t80 -86.81 -56.14 3.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.686 ' HA ' HD11 ' A' ' 144' ' ' ILE . 90.7 mm-40 -42.4 -30.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 5.5 pt-20 -76.65 -34.87 58.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.793 HD13 ' HZ3' ' A' ' 25' ' ' TRP . 58.9 mt -53.15 -32.5 48.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.832 HD13 ' H ' ' A' ' 144' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.884 0.374 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.7 OUTLIER -62.93 -55.86 22.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.525 ' HA ' HD12 ' A' ' 23' ' ' LEU . 12.1 t0 -57.48 -12.18 2.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 24' ' ' GLN . 4.5 tp10 -91.0 -59.14 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.57 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -38.8 -29.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.0 mt -76.94 -41.09 44.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 21' ' ' GLU . 13.2 mt-30 -55.51 -15.81 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.968 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.57 ' CE3' ' HA ' ' A' ' 22' ' ' ALA . 40.0 m0 -71.79 -23.03 61.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.401 ' HG2' HG11 ' A' ' 135' ' ' VAL . 64.9 mtp180 -72.81 -38.79 67.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.825 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -50.72 -59.16 4.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.5 t -135.32 138.51 43.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.5 tp -56.89 -30.09 63.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -56.06 -57.15 13.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' O ' ' CD1' ' A' ' 25' ' ' TRP . 12.1 mtpp -46.4 -25.71 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.8 tp -81.78 -59.13 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.9 mt -54.81 -47.14 74.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -53.15 -45.94 68.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -74.38 114.36 12.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -42.8 -59.32 2.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -45.72 -61.24 1.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -53.13 -50.0 53.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.0 tp -55.14 -63.96 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.32 -54.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.2 t -65.19 -38.25 89.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -58.06 -39.24 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.714 ' HG2' HD13 ' A' ' 55' ' ' LEU . 35.7 mtpt -64.44 -63.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 t -39.77 -41.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.529 ' CD2' HD12 ' A' ' 46' ' ' LEU . 10.9 t80 -56.09 -49.92 72.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.756 HD23 ' HA ' ' A' ' 52' ' ' GLU . 7.1 mp -55.41 -49.08 73.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -44.0 -37.82 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.5 t -68.06 -36.57 80.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -91.96 -3.82 55.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 63.69 28.84 15.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.15 25.05 10.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.756 ' HA ' HD23 ' A' ' 46' ' ' LEU . 16.2 tt0 -65.57 -13.75 59.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.458 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 23.0 pm0 -66.63 -34.81 78.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.458 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 12.4 m-20 -59.51 -33.83 71.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.731 HD22 ' CD1' ' A' ' 59' ' ' ILE . 1.1 tt -79.51 -45.3 19.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -46.19 -52.1 13.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.426 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 18.1 t80 -52.74 -36.02 57.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -69.98 -62.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.731 ' CD1' HD22 ' A' ' 55' ' ' LEU . 38.2 mt -46.5 -42.74 5.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.094 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.78 -41.67 82.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 33.8 m -56.74 -53.29 59.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.64 -32.14 71.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -72.76 -32.32 65.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.532 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -69.86 -29.15 66.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -64.78 -21.24 66.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -85.47 18.32 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.694 HG22 ' HG3' ' A' ' 73' ' ' MET . 22.6 mt -105.07 132.9 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.46 -6.01 8.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 t -71.34 135.96 84.21 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -8.64 24.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.245 . . . . 0.0 112.381 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -104.96 -44.81 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.506 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 4.2 tptp -70.09 -46.74 64.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.694 ' HG3' HG22 ' A' ' 67' ' ' ILE . 11.3 mtp -49.03 -34.02 12.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.2 -58.39 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -54.31 -57.58 10.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.436 ' NZ ' HD11 ' A' ' 80' ' ' ILE . 24.3 tptp -44.74 -37.99 4.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -59.52 -48.93 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -58.67 -34.35 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -61.87 -58.32 8.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.436 HD11 ' NZ ' ' A' ' 76' ' ' LYS . 31.2 mt -55.79 -25.14 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.127 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.613 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -82.2 -44.16 16.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 6.5 mm-40 -67.2 -8.38 30.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.868 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 15.6 tt0 -105.36 -53.1 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -99.63 -53.51 3.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.553 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.56 25.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.195 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.595 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -106.17 152.74 23.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.488 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 31.7 m -57.11 137.14 56.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.465 ' HG2' HG22 ' A' ' 87' ' ' THR . 13.3 pt-20 35.88 31.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.868 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -49.18 160.91 0.48 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.699 . . . . 0.0 111.132 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.605 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.6 Cg_endo -69.74 -32.73 18.06 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.688 2.258 . . . . 0.0 112.346 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 92' ' ' GLU . 9.6 mtpp -122.64 11.86 9.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.816 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 58.6 tt0 -35.2 105.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.665 HG23 HG12 ' A' ' 95' ' ' ILE . 36.0 m -58.93 -176.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -97.38 92.19 5.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.665 HG12 HG23 ' A' ' 93' ' ' VAL . 1.2 pt -139.78 113.86 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -53.35 155.49 2.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.966 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -45.44 -34.92 3.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -52.07 -70.78 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 56.2 m -59.26 -49.26 78.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.49 -48.06 19.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.22 -43.67 92.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 24.6 mm -46.9 -63.63 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.445 ' OG1' ' HB2' ' A' ' 118' ' ' ALA . 95.0 m -42.14 -51.84 4.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mtp -45.77 -53.44 9.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -62.82 -21.99 66.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -89.64 6.91 39.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.803 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.517 HD11 ' CD2' ' A' ' 81' ' ' TYR . 23.3 mt -92.44 -3.29 55.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.7 t -77.49 -58.72 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 1.6 pt-20 -122.72 51.22 3.26 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.682 0.753 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.78 137.08 34.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.3 t -132.63 -70.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.775 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.5 mt -132.5 -45.26 0.9 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.6 p -88.57 20.76 3.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 p -57.67 -49.02 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -99.53 29.14 4.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -58.26 -54.72 43.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 3.4 tpp -63.65 -63.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.445 ' HB2' ' OG1' ' A' ' 103' ' ' THR . . . -45.13 -42.39 8.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -63.46 -54.54 34.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -63.8 -25.12 68.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.453 ' CD ' ' C ' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -71.07 -49.81 40.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.405 ' HA ' HD13 ' A' ' 122' ' ' ILE . 7.1 mm -72.69 -42.57 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -54.31 -39.45 67.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.83 -22.86 62.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.03 -38.15 27.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 44.9 mtm -76.04 -11.13 59.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.698 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.1 pt-20 -99.45 -21.6 15.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 132' ' ' PRO . 12.1 ptmt -109.35 -10.36 14.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.503 ' O ' ' CG ' ' A' ' 133' ' ' ARG . 7.7 t70 -113.54 -65.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 133' ' ' ARG . 40.7 m -73.01 -59.69 2.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.698 HD23 ' O ' ' A' ' 127' ' ' GLU . 4.2 tp -34.11 -56.09 0.76 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.2 Cg_endo -69.75 -26.45 27.62 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.266 . . . . 0.0 112.275 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 130' ' ' SER . 15.4 mmm180 -88.26 -12.82 42.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 130' ' ' SER . 14.4 t80 -86.53 -38.14 17.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.463 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 27.6 m -67.11 -15.48 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 22.8 mmm-85 -82.57 -38.64 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 75.2 p -71.71 138.84 48.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 140' ' ' TYR . 0.8 OUTLIER -38.56 -43.64 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.472 ' C ' ' O ' ' A' ' 138' ' ' GLU . 86.9 m-85 -32.19 -37.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.666 ' HA ' HD12 ' A' ' 143' ' ' LEU . 73.1 t80 -87.96 -53.58 4.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.049 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.582 ' HA ' HD11 ' A' ' 144' ' ' ILE . 57.5 mm-40 -40.94 -40.45 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 139' ' ' PHE . 0.3 OUTLIER -68.37 -34.5 76.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 140' ' ' TYR . 83.6 mt -52.56 -21.54 3.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.582 HD11 ' HA ' ' A' ' 141' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.029 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.838 0.352 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -47.1 -62.92 1.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.67 ' HA ' HD12 ' A' ' 23' ' ' LEU . 2.5 t70 -51.39 -16.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 24' ' ' GLN . 10.8 tt0 -85.5 -58.36 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.573 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -41.09 -32.37 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.8 mt -74.22 -37.48 63.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' GLU . 12.4 mt-30 -55.12 -19.59 7.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.785 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 34.4 m0 -74.43 -23.47 58.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.403 ' HG2' HG11 ' A' ' 135' ' ' VAL . 50.0 mtp180 -71.06 -41.86 70.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -54.73 -57.84 9.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -135.3 137.59 42.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.401 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 7.0 tp -56.75 -45.67 81.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -38.38 -59.61 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.476 ' C ' ' HG2' ' A' ' 34' ' ' GLN . 14.2 mmtm -40.17 -37.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.479 HD12 ' HA3' ' A' ' 38' ' ' GLY . 27.0 tp -67.75 -66.78 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.2 mt -45.41 -52.55 9.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.476 ' HG2' ' C ' ' A' ' 31' ' ' LYS . 6.6 pt20 -50.74 -34.87 28.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.464 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 3.1 t-20 -82.01 132.43 35.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.47 ' CG ' ' N ' ' A' ' 37' ' ' TYR . 4.9 p30 -60.02 -54.58 44.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.47 ' N ' ' CG ' ' A' ' 36' ' ' ASN . 1.8 t80 -58.45 -54.2 49.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.479 ' HA3' HD12 ' A' ' 32' ' ' LEU . . . -55.89 -42.17 85.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.472 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.5 tp -62.6 -63.33 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.66 -57.03 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.0 p -60.84 -35.61 77.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.436 ' HB2' HD21 ' A' ' 32' ' ' LEU . 22.0 t80 -61.65 -40.06 93.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.838 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.559 ' HG2' HD13 ' A' ' 55' ' ' LEU . 34.3 mtpt -62.71 -62.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' LYS . 2.6 t -37.89 -55.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -44.56 -46.07 9.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.427 ' HB3' ' C ' ' A' ' 51' ' ' SER . 87.1 mt -65.39 -51.66 58.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -42.01 -42.13 2.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.4 t -75.77 -36.78 59.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.531 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 4.7 mm-40 -87.94 16.84 5.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.531 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 50.1 p90 45.68 29.72 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.427 ' C ' ' HB3' ' A' ' 46' ' ' LEU . 47.4 m -116.76 25.1 10.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.791 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -71.11 -23.55 62.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 9.6 pm0 -61.65 -29.13 69.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.423 ' C ' ' SD ' ' A' ' 126' ' ' MET . 2.1 m-20 -61.03 -51.27 69.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 59' ' ' ILE . 0.4 OUTLIER -66.22 -49.04 68.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.945 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -39.6 -59.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.519 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 18.6 t80 -46.3 -33.46 3.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.418 ' CD1' ' NE2' ' A' ' 119' ' ' GLN . 28.3 t90 -73.25 -65.6 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.576 ' CD1' HD22 ' A' ' 55' ' ' LEU . 50.3 mt -45.3 -42.85 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.14 -53.89 51.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.052 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 55.8 m -44.72 -60.83 1.83 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -48.93 -41.77 34.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -65.96 -23.29 66.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -83.43 -19.14 36.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.973 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -72.24 -33.39 67.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -81.44 19.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.543 HG22 ' HG3' ' A' ' 73' ' ' MET . 10.5 mt -98.26 112.54 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -95.69 -32.45 12.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.809 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.409 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 2.1 m -46.76 133.33 8.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.656 0.741 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -24.56 29.27 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.503 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -91.58 -36.32 13.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.084 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.466 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -70.92 -47.78 57.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.837 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.543 ' HG3' HG22 ' A' ' 67' ' ' ILE . 8.6 mtp -48.99 -37.04 19.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.26 -54.79 3.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 5.0 mm-40 -54.57 -59.26 4.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 28.5 tptt -46.94 -42.8 18.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -50.69 -49.4 57.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.057 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.7 pttp -59.24 -34.04 71.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -60.47 -58.38 8.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.6 mt -53.7 -32.93 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.628 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.3 OUTLIER -75.93 -44.02 42.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.507 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 6.3 mm-40 -67.04 -8.76 32.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.86 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 16.9 tt0 -105.47 -51.08 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.402 ' C ' ' H ' ' A' ' 86' ' ' GLN . 68.0 m-85 -101.91 -54.72 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.564 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.3 mm -78.84 26.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.684 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -104.83 152.2 22.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.495 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 84.0 m -58.34 126.18 26.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.181 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.426 ' HG2' HG22 ' A' ' 87' ' ' THR . 21.3 mm-40 46.22 30.21 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.86 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -50.43 162.11 0.56 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.614 0.721 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.639 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.7 Cg_endo -69.72 -29.47 23.99 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.756 2.304 . . . . 0.0 112.319 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -123.82 16.98 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 30.4 tt0 -41.41 100.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.465 HG11 ' HB2' ' A' ' 57' ' ' PHE . 23.4 m -57.99 -175.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -98.42 98.44 9.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.2 pt -145.72 112.84 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.407 ' OD2' ' HB3' ' A' ' 98' ' ' PHE . 9.7 p-10 -52.58 160.39 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -48.58 -38.52 20.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.407 ' HB3' ' OD2' ' A' ' 96' ' ' ASP . 22.8 t80 -48.46 -70.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.407 HG21 ' HG3' ' A' ' 121' ' ' ARG . 25.8 m -60.3 -53.56 56.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.37 -47.15 6.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.975 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.4 -44.46 95.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.2 mm -46.29 -63.73 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.438 ' OG1' ' HB2' ' A' ' 118' ' ' ALA . 99.7 m -41.58 -51.15 4.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.5 mtp -48.01 -55.39 10.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.427 ' O ' HG12 ' A' ' 108' ' ' VAL . 7.0 mtpp -61.66 -14.42 30.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.932 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -95.94 0.32 51.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.628 HD11 ' CD2' ' A' ' 81' ' ' TYR . 92.3 mt -89.21 2.86 53.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 105' ' ' LYS . 7.6 p -89.29 -41.42 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 50.6 mt-10 -134.38 44.94 1.32 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.661 0.743 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.6 Cg_endo -69.74 132.36 23.2 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.708 2.272 . . . . 0.0 112.381 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -127.08 -67.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.0 mt -133.58 -45.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.4 p -92.87 25.11 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.499 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 4.2 p -56.81 -42.02 78.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -107.02 38.53 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.77 -60.09 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 6.9 tpp -57.18 -59.52 4.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.519 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -49.13 -44.15 42.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.064 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.418 ' NE2' ' CD1' ' A' ' 58' ' ' TRP . 5.6 tp60 -60.64 -56.66 18.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -63.03 -26.85 69.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.457 ' CD ' ' C ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -66.76 -56.69 9.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 122' ' ' ILE . 11.3 mm -64.68 -43.22 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -53.52 -38.66 63.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.783 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.41 -23.22 62.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.04 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -82.55 -41.5 19.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.423 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 44.1 mtm -72.66 -11.44 60.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.532 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.4 pt-20 -98.5 -24.12 15.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.427 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -111.01 -4.35 15.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 29.8 t70 -115.71 -65.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 134' ' ' PHE . 20.1 m -77.18 -57.44 3.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.613 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 4.6 tp -35.55 -53.85 1.3 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.584 0.707 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.9 Cg_endo -69.77 -26.36 27.59 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 130' ' ' SER . 79.1 mtt180 -90.73 -12.71 35.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.3 t80 -87.84 -30.35 20.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.447 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 28.9 m -71.67 -41.06 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.423 ' N ' HG23 ' A' ' 135' ' ' VAL . 25.9 mtt85 -58.44 -44.88 89.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 59.7 p -60.04 160.06 8.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 139' ' ' PHE . 3.1 tt0 -62.36 -37.69 86.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 138' ' ' GLU . 79.7 m-85 -37.71 -37.49 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.51 ' O ' HD13 ' A' ' 144' ' ' ILE . 62.7 t80 -89.72 -48.78 7.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.691 ' HA ' HD11 ' A' ' 144' ' ' ILE . 84.7 mm-40 -44.8 -30.77 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 4.1 pt-20 -76.49 -32.09 58.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.785 HD13 ' HZ3' ' A' ' 25' ' ' TRP . 69.6 mt -56.07 -31.36 63.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.839 HD13 ' H ' ' A' ' 144' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.944 0.402 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.5 HD21 ' HB ' ' A' ' 144' ' ' ILE . 0.8 OUTLIER -42.33 -62.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.708 ' HA ' HD12 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -45.08 -28.68 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 24' ' ' GLN . 4.1 tt0 -78.23 -60.52 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.403 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -38.27 -32.49 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.5 mt -73.15 -40.72 64.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 21' ' ' GLU . 52.2 mt-30 -54.17 -21.25 8.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.981 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.451 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 50.9 m0 -71.62 -23.57 61.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -70.8 -41.75 71.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -48.85 -60.33 2.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.8 m -135.18 149.53 49.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.507 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 12.9 tp -62.28 -49.34 76.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -41.93 -50.71 4.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HE2' ' OE1' ' A' ' 24' ' ' GLN . 12.2 mttp -46.96 -36.81 8.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 42' ' ' PHE . 47.0 tp -71.42 -66.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 mt -47.22 -48.76 24.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -43.18 -50.83 6.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -72.98 130.36 40.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -55.43 -57.41 12.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -50.58 -57.93 7.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.32 -45.56 74.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.0 tp -58.48 -61.64 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.34 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.76 -50.28 5.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.7 p -64.4 -46.68 82.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.408 ' HB2' HD21 ' A' ' 32' ' ' LEU . 32.5 t80 -51.74 -51.81 53.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.528 ' HG2' HD13 ' A' ' 55' ' ' LEU . 35.5 mtpt -49.62 -62.51 1.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.7 t -42.83 -52.12 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.407 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 55.8 t80 -44.83 -37.47 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.583 HD23 ' HA ' ' A' ' 52' ' ' GLU . 10.6 mp -75.04 -51.36 13.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -40.14 -40.39 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 t -71.19 -42.97 68.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.52 -6.93 55.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 64.15 36.2 9.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -129.77 32.06 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.828 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.583 ' HA ' HD23 ' A' ' 46' ' ' LEU . 20.4 tt0 -68.93 -29.97 68.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.413 ' HB2' ' HB3' ' A' ' 91' ' ' LYS . 4.2 pt-20 -48.28 -37.55 16.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.49 ' O ' HG21 ' A' ' 122' ' ' ILE . 4.3 m-20 -56.99 -37.85 72.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.662 HD22 HD11 ' A' ' 59' ' ' ILE . 1.3 tt -80.68 -44.08 19.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -45.05 -49.31 11.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -54.68 -37.94 66.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -66.73 -60.54 2.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.662 HD11 HD22 ' A' ' 55' ' ' LEU . 23.9 mt -48.49 -48.51 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.84 -46.33 78.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 98.7 m -48.08 -60.02 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -53.31 -42.46 66.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -65.07 -21.3 66.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.537 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.2 t80 -86.42 -28.53 23.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -66.83 -35.21 79.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -81.47 21.86 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.53 HG22 ' HG3' ' A' ' 73' ' ' MET . 22.3 mt -95.76 108.27 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.58 -24.59 21.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -57.98 132.05 83.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.664 0.745 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -29.38 24.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.602 2.201 . . . . 0.0 112.4 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.422 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -84.88 -40.33 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.51 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -66.43 -50.32 63.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.53 ' HG3' HG22 ' A' ' 67' ' ' ILE . 8.3 mtp -43.92 -37.51 2.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.24 -57.93 2.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 4.1 mm-40 -51.8 -59.45 4.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 19.1 tptm -48.76 -43.45 37.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.483 ' HB2' ' HE2' ' A' ' 64' ' ' TYR . . . -49.34 -53.47 22.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.088 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.481 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 8.1 ptmt -57.7 -40.34 79.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.481 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 21.4 mt-30 -52.75 -54.58 31.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.4 mt -56.6 -30.38 31.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.612 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -77.32 -43.78 31.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.934 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.5 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.9 mt-10 -67.13 -8.55 31.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.862 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 19.6 tt0 -106.12 -52.16 2.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -100.35 -54.19 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.56 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.2 mm -79.84 27.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.706 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -106.65 154.55 20.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.469 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 51.5 m -58.43 133.2 55.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 38.26 31.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.862 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -49.84 161.01 0.57 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.7 . . . . 0.0 111.064 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.601 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 52.8 Cg_endo -69.9 -28.8 24.15 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.596 2.197 . . . . 0.0 112.311 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 53' ' ' GLU . 7.5 mtpt -125.18 17.83 8.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.632 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 41.8 tt0 -43.07 98.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.413 HG23 HG12 ' A' ' 95' ' ' ILE . 29.3 m -54.89 -178.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -95.7 97.47 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.44 HG23 HD11 ' A' ' 122' ' ' ILE . 2.5 pt -146.55 111.68 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.17 163.33 0.23 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -51.57 -38.37 54.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.401 ' O ' HG12 ' A' ' 102' ' ' ILE . 12.5 t80 -47.84 -69.68 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.2 m -60.54 -50.51 73.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 104' ' ' MET . 0.1 OUTLIER -44.47 -49.61 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.96 -47.2 81.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.45 ' HA ' ' HD2' ' A' ' 105' ' ' LYS . 36.6 mm -42.64 -67.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.184 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.9 m -39.31 -52.33 2.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.406 ' HG3' ' O ' ' A' ' 100' ' ' LYS . 5.1 mtp -44.08 -53.54 6.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.45 ' HD2' ' HA ' ' A' ' 102' ' ' ILE . 11.2 mttt -63.54 -25.45 68.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -85.33 2.78 42.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.576 HD11 ' CD2' ' A' ' 81' ' ' TYR . 35.1 mt -88.97 -4.74 58.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.0 t -77.26 -56.64 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.495 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 7.1 mt-10 -124.69 51.22 4.64 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.8 Cg_endo -69.75 135.15 29.75 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.726 2.284 . . . . 0.0 112.353 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.488 ' O ' HD23 ' A' ' 112' ' ' LEU . 46.0 m -132.75 -66.9 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 111' ' ' SER . 33.0 mt -134.49 -45.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -91.08 23.11 3.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 p -59.28 -45.97 89.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.458 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 97.9 m-85 -105.46 34.68 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.94 -57.32 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 2.1 tpp -60.43 -61.99 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.82 -42.28 35.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.047 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 26.9 tt0 -61.04 -56.29 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -63.86 -28.24 69.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.422 ' CD ' ' C ' ' A' ' 121' ' ' ARG . 0.7 OUTLIER -64.72 -55.27 20.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.49 HG21 ' O ' ' A' ' 54' ' ' ASN . 10.0 mm -65.28 -41.77 92.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.196 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -57.13 -37.57 72.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.64 -18.89 62.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -86.23 -50.06 7.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.456 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 32.8 mtm -65.37 -10.12 30.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.689 ' O ' HD23 ' A' ' 131' ' ' LEU . 5.3 pt-20 -97.53 -24.38 15.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.408 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -111.43 -5.7 14.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 125' ' ' LEU . 10.9 t70 -112.4 -66.66 1.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 133' ' ' ARG . 16.5 m -77.83 -56.87 4.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.689 HD23 ' O ' ' A' ' 127' ' ' GLU . 4.3 tp -34.62 -54.09 0.97 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.671 0.748 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 54.3 Cg_endo -69.7 -27.64 26.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.691 2.261 . . . . 0.0 112.388 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 130' ' ' SER . 33.3 mtp180 -88.88 -13.0 40.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.83 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 130' ' ' SER . 22.0 t80 -82.79 -42.93 17.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.452 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 31.4 m -59.89 -33.56 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -63.34 -49.19 74.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 80.6 p -53.5 173.41 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 139' ' ' PHE . 2.2 tt0 -71.76 -39.25 70.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 138' ' ' GLU . 98.5 m-85 -35.91 -40.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.597 ' HA ' HD12 ' A' ' 143' ' ' LEU . 54.3 t80 -82.98 -52.88 6.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -45.52 -32.81 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -79.81 -28.3 40.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 140' ' ' TYR . 40.7 mt -68.2 -36.32 79.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.5 ' HB ' HD21 ' A' ' 19' ' ' LEU . 27.0 pt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.926 0.393 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.4 -60.06 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.686 ' HA ' HD12 ' A' ' 23' ' ' LEU . 84.5 m-20 -55.82 -13.18 1.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 24' ' ' GLN . 12.6 tt0 -87.69 -59.73 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.511 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -40.43 -33.68 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.686 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.1 mt -71.91 -38.2 69.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 21' ' ' GLU . 17.0 mt-30 -54.43 -23.81 17.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.67 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 48.2 m0 -71.76 -23.56 61.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -70.97 -43.05 68.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -59.44 -54.71 43.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 m -134.9 137.91 43.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.633 HD23 ' NE2' ' A' ' 123' ' ' HIS . 9.1 tp -61.31 -42.36 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -39.14 -62.9 0.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.831 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' ASP . 15.0 mmtm -37.72 -44.21 0.7 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.554 HD21 ' HB2' ' A' ' 42' ' ' PHE . 29.2 tp -62.37 -62.67 1.59 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.94 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.599 HD13 ' CE3' ' A' ' 58' ' ' TRP . 90.7 mt -49.88 -44.05 49.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -56.86 -44.99 82.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -73.54 118.66 16.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -51.29 -50.76 58.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -56.78 -57.73 11.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.19 -45.09 74.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 33' ' ' LEU . 37.6 tp -58.04 -63.6 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.347 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.19 -50.67 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 p -64.72 -45.34 86.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.56 ' O ' HD13 ' A' ' 46' ' ' LEU . 27.1 t80 -52.74 -45.34 66.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -56.17 -62.79 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 t -42.06 -46.24 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 134' ' ' PHE . 43.8 t80 -53.07 -38.14 62.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.661 HD23 ' HA ' ' A' ' 52' ' ' GLU . 10.9 mp -70.79 -50.54 34.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -41.33 -45.59 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -64.2 -39.96 95.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -81.69 -12.34 58.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 70.14 30.47 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.2 m -122.97 28.44 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.661 ' HA ' HD23 ' A' ' 46' ' ' LEU . 11.5 tt0 -66.67 -20.82 66.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.954 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.439 ' CB ' ' HB3' ' A' ' 91' ' ' LYS . 4.0 pt-20 -59.7 -33.06 71.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.55 ' O ' HG21 ' A' ' 122' ' ' ILE . 2.7 m-20 -57.4 -44.58 84.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.636 HD22 ' CD1' ' A' ' 59' ' ' ILE . 1.1 tt -78.67 -48.25 15.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -40.33 -56.15 2.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -50.76 -34.49 27.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.599 ' CE3' HD13 ' A' ' 33' ' ' LEU . 67.5 t90 -70.21 -58.78 3.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.636 ' CD1' HD22 ' A' ' 55' ' ' LEU . 36.4 mt -50.52 -47.38 27.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.55 -42.72 97.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.443 ' HB2' ' NE2' ' A' ' 119' ' ' GLN . 38.1 m -54.97 -51.54 65.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -63.78 -34.5 78.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -71.18 -34.68 71.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.798 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.598 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -67.36 -32.17 72.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 -179.786 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' O ' HD22 ' A' ' 112' ' ' LEU . 33.3 mttt -65.84 -25.17 67.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -73.13 0.6 11.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.552 HG21 ' HB3' ' A' ' 72' ' ' LYS . 59.3 mt -89.44 138.26 19.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.51 -24.56 6.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -56.67 139.78 75.77 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.705 0.764 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -24.19 30.1 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.698 2.266 . . . . 0.0 112.386 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.59 -54.88 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.552 ' HB3' HG21 ' A' ' 67' ' ' ILE . 3.6 tptm -55.61 -51.84 65.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.438 ' HG3' HG22 ' A' ' 67' ' ' ILE . 11.8 mtp -47.16 -31.18 3.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.832 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.43 -62.72 1.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.21 -58.77 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.818 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 40.3 tptt -44.72 -45.0 9.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.429 ' HB2' ' HE2' ' A' ' 64' ' ' TYR . . . -51.39 -50.6 59.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.499 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 3.6 pttp -57.84 -40.15 79.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.499 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 30.3 mt-30 -52.12 -55.79 18.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 24.8 mt -56.4 -30.12 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.6 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -75.75 -46.71 29.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.499 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.8 mt-10 -65.55 -8.37 19.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.867 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 10.2 tt0 -104.95 -53.35 2.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -100.18 -53.95 3.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.557 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.01 26.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.762 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -106.11 154.0 21.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.506 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 44.2 m -62.69 130.69 46.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 87' ' ' THR . 7.9 pt-20 46.01 27.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.867 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -51.88 162.1 0.83 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.584 0.707 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.618 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.6 Cg_endo -69.77 -29.17 24.23 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.396 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 93' ' ' VAL . 9.6 mtpp -124.54 20.19 8.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.451 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 29.3 tt0 -41.88 91.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.6 HG23 HG12 ' A' ' 95' ' ' ILE . 25.6 m -50.84 175.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -92.24 100.19 12.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.6 HG12 HG23 ' A' ' 93' ' ' VAL . 1.4 pt -148.8 113.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -52.52 162.05 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -50.47 -37.38 38.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -49.64 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.6 m -59.71 -50.07 75.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.083 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.69 -49.59 10.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.41 -47.23 84.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.4 mm -42.39 -66.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.501 ' OG1' ' HB2' ' A' ' 118' ' ' ALA . 99.1 m -40.72 -53.01 2.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.164 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.5 mtp -46.22 -56.59 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.4 mtpp -60.11 -18.82 50.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -92.64 6.53 47.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.484 HD11 ' CD2' ' A' ' 81' ' ' TYR . 37.4 mt -92.04 -1.79 57.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.425 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 15.3 t -79.34 -59.33 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.132 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.523 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 11.1 mt-10 -120.67 49.71 1.67 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.702 0.763 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.75 134.57 28.33 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.65 2.233 . . . . 0.0 112.365 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.447 ' O ' HD23 ' A' ' 112' ' ' LEU . 23.2 t -126.55 -72.61 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 111' ' ' SER . 70.9 mt -133.45 -40.67 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 t -92.81 21.24 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.816 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 p -57.38 -48.04 80.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.458 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 91.0 m-85 -101.86 41.93 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -56.14 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.402 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 2.2 tpp -59.48 -66.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.501 ' HB2' ' OG1' ' A' ' 103' ' ' THR . . . -45.91 -40.44 10.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 7.7 tt0 -61.32 -56.59 18.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 117' ' ' MET . 2.7 pttp -62.89 -30.96 71.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.492 ' CD ' ' C ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -62.8 -52.37 63.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.826 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.569 HG22 ' SD ' ' A' ' 126' ' ' MET . 3.9 mm -66.01 -51.51 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.633 ' NE2' HD23 ' A' ' 29' ' ' LEU . 9.4 t-80 -48.97 -43.34 39.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 128' ' ' LYS . . . -62.37 -22.38 66.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.402 ' HA ' ' HG2' ' A' ' 128' ' ' LYS . 0.2 OUTLIER -86.93 -57.36 3.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.569 ' SD ' HG22 ' A' ' 122' ' ' ILE . 2.3 ptt? -58.85 -9.79 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.799 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.0 pt-20 -96.6 -22.48 17.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 132' ' ' PRO . 23.6 pttt -109.12 -9.47 15.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -111.8 -65.36 1.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 133' ' ' ARG . 16.7 m -73.47 -60.54 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.799 HD23 ' O ' ' A' ' 127' ' ' GLU . 2.5 tp -33.0 -56.63 0.55 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.7 Cg_endo -69.72 -26.84 27.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.65 2.233 . . . . 0.0 112.403 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 130' ' ' SER . 80.8 mtt-85 -87.56 -12.43 45.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.568 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 11.9 t80 -85.2 -39.68 17.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.472 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 36.0 m -59.26 -35.34 57.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -66.51 -36.31 82.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 49.7 p -65.84 142.26 57.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.96 -38.47 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -39.62 -36.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.719 ' HA ' HD12 ' A' ' 143' ' ' LEU . 54.5 t80 -86.45 -47.24 9.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -48.85 -34.75 13.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -77.54 -24.59 49.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 140' ' ' TYR . 48.9 mt -70.96 -32.43 69.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.511 HG22 ' HB3' ' A' ' 22' ' ' ALA . 23.9 pt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.896 0.379 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -44.08 -63.09 0.94 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.637 ' HA ' HD12 ' A' ' 23' ' ' LEU . 3.7 t70 -44.57 -24.18 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 24' ' ' GLN . 7.0 tt0 -82.01 -60.19 2.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.425 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -39.0 -34.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.7 mt -71.56 -38.95 70.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 21' ' ' GLU . 21.5 mt-30 -56.08 -23.28 32.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.511 ' CD1' ' HA ' ' A' ' 32' ' ' LEU . 48.5 m0 -69.62 -15.59 63.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.449 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 15.9 mtp-105 -80.5 -31.64 37.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -62.84 -58.89 5.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 t -135.66 127.13 28.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.42 HD11 ' CE2' ' A' ' 42' ' ' PHE . 4.2 tp -51.91 -30.97 26.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -54.27 -52.83 60.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.877 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HE2' ' O ' ' A' ' 24' ' ' GLN . 9.0 mtmm -52.75 -27.58 18.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.511 ' HA ' ' CD1' ' A' ' 25' ' ' TRP . 26.3 tp -78.34 -50.41 11.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.8 mt -60.26 -42.52 95.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -54.56 -45.84 73.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -71.94 117.76 13.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -47.54 -54.12 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.446 ' CE2' ' CD2' ' A' ' 143' ' ' LEU . 2.4 t80 -51.77 -60.59 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.93 -50.51 50.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.489 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.0 tp -54.16 -62.14 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -40.18 -59.85 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.0 p -59.98 -41.2 91.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 29' ' ' LEU . 23.6 t80 -55.77 -46.55 77.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.789 ' HG2' HD13 ' A' ' 55' ' ' LEU . 38.7 mtpt -55.01 -66.19 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' LYS . 11.9 t -38.13 -53.94 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -41.95 -45.74 3.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.817 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' GLU . 89.1 mt -63.28 -56.31 17.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.422 ' HG2' ' CD ' ' A' ' 52' ' ' GLU . 29.4 mtmt -39.6 -40.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.954 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -70.35 -39.24 74.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' LEU . 15.0 mm-40 -85.55 2.61 44.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 63.32 30.38 15.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.408 ' C ' ' HB3' ' A' ' 46' ' ' LEU . 19.8 m -124.91 30.29 5.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.786 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.422 ' CD ' ' HG2' ' A' ' 47' ' ' LYS . 2.8 tt0 -71.76 -22.2 61.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -61.64 -36.23 80.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -52.2 -51.24 59.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.789 HD13 ' HG2' ' A' ' 43' ' ' LYS . 1.2 tt -66.73 -43.48 84.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -45.07 -58.4 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.444 ' CB ' HG11 ' A' ' 93' ' ' VAL . 36.2 t80 -48.3 -37.98 17.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -66.39 -60.43 2.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.695 HD11 HD22 ' A' ' 55' ' ' LEU . 38.2 mt -46.54 -43.73 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.56 92.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 62.1 m -48.4 -56.59 7.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -59.76 -40.3 87.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -66.15 -19.04 65.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.478 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 2.3 t80 -86.44 -34.4 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -60.57 -33.21 72.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -81.6 16.69 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.559 HG22 ' HG3' ' A' ' 73' ' ' MET . 35.1 mt -97.85 112.33 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.11 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.78 -34.58 11.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 m -41.62 133.7 2.19 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.626 0.727 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -24.72 29.32 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.675 2.25 . . . . 0.0 112.369 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -94.3 -34.78 12.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.065 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.477 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 2.9 tptt -70.57 -46.66 63.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.559 ' HG3' HG22 ' A' ' 67' ' ' ILE . 13.3 mtp -49.92 -37.02 29.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.47 -56.51 3.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 17.8 mm-40 -52.99 -52.92 56.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.472 ' HG2' ' CD1' ' A' ' 67' ' ' ILE . 26.8 tptp -53.3 -45.47 68.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.75 -52.2 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -35.54 77.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -59.53 -48.82 80.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.429 ' CG1' ' HZ3' ' A' ' 76' ' ' LYS . 52.7 mt -64.61 -32.2 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.072 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.627 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -74.55 -43.33 56.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.526 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.5 mm-40 -66.18 -8.6 25.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.85 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 16.2 tt0 -106.36 -52.38 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 92' ' ' GLU . 60.6 m-85 -101.07 -55.14 2.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.742 HG22 ' HE2' ' A' ' 100' ' ' LYS . 1.2 mm -78.98 28.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.661 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.87 151.22 24.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.884 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.515 HG22 ' HG3' ' A' ' 88' ' ' GLU . 30.7 m -60.45 123.28 16.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.515 ' HG3' HG22 ' A' ' 87' ' ' THR . 28.0 mt-10 51.99 27.9 4.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.85 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -51.08 161.94 0.66 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.529 0.681 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.628 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 52.9 Cg_endo -69.77 -31.4 20.57 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.668 2.245 . . . . 0.0 112.3 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -123.57 19.03 9.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.973 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.659 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 7.9 tt0 -44.23 99.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.444 HG11 ' CB ' ' A' ' 57' ' ' PHE . 27.7 m -53.22 179.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.157 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -94.3 99.41 11.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.3 pt -145.54 111.31 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -48.63 157.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -47.28 -42.64 21.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.408 ' O ' HG12 ' A' ' 102' ' ' ILE . 15.6 t80 -47.72 -63.22 1.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.4 m -65.79 -54.14 31.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.742 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -43.24 -42.38 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.68 -44.49 86.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 98' ' ' PHE . 19.3 mm -42.95 -64.2 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.2 m -42.02 -53.71 3.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.1 mtp -48.74 -55.51 11.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -61.25 -12.34 12.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -102.15 7.04 41.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.591 HD11 ' CD2' ' A' ' 81' ' ' TYR . 64.2 mt -91.33 2.64 56.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.474 HG13 ' HG2' ' A' ' 109' ' ' GLU . 1.4 p -84.41 -42.76 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.543 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 0.2 OUTLIER -134.84 48.25 2.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.567 0.699 . . . . 0.0 110.86 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.65 126.4 13.34 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -123.05 -67.84 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.9 mt -133.71 -43.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.7 m -87.82 19.61 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.405 ' HB2' ' CD1' ' A' ' 115' ' ' PHE . 4.3 m -47.18 -57.93 4.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.411 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 13.1 m-85 -101.96 40.61 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.815 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -64.65 -42.07 95.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 6.5 tpp -76.28 -57.26 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.97 -41.11 64.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.029 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.411 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 40.1 tt0 -61.64 -54.18 46.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.937 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -65.2 -31.1 72.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.509 ' CD ' ' C ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -64.14 -57.06 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.428 ' HA ' HD13 ' A' ' 122' ' ' ILE . 7.5 mm -62.33 -43.81 98.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -56.73 -37.65 71.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.37 -21.58 62.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.409 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -83.01 -42.41 17.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 46.2 mtm -71.81 -10.61 60.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.816 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.834 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.4 pt-20 -98.78 -24.75 14.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.45 -4.71 15.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 44.7 t0 -116.17 -65.29 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 134' ' ' PHE . 16.7 m -76.55 -56.83 4.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.834 HD23 ' O ' ' A' ' 127' ' ' GLU . 6.8 tp -35.27 -54.58 1.13 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.647 0.737 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 54.0 Cg_endo -69.71 -25.82 28.44 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.62 2.213 . . . . 0.0 112.363 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 130' ' ' SER . 47.7 mtt180 -91.36 -12.5 34.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 130' ' ' SER . 29.3 t80 -85.45 -35.12 21.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.472 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 18.2 m -68.64 -32.36 54.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -67.5 -40.02 85.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.776 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 59.6 p -62.14 176.23 0.61 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 140' ' ' TYR . 1.6 tt0 -72.34 -42.74 65.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 138' ' ' GLU . 95.3 m-85 -35.3 -35.96 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.689 ' HA ' HD12 ' A' ' 143' ' ' LEU . 55.2 t80 -86.31 -49.14 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -48.99 -32.82 9.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -77.62 -25.27 49.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 140' ' ' TYR . 41.4 mt -74.46 -37.73 63.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.589 HD13 ' CE2' ' A' ' 140' ' ' TYR . 34.1 pt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.049 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -48.92 -60.18 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.585 ' HA ' HD12 ' A' ' 23' ' ' LEU . 7.9 t70 -56.0 -13.89 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 24' ' ' GLN . 8.5 tp10 -89.6 -57.76 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.46 -32.68 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.9 mt -73.71 -39.81 64.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' GLU . 14.4 mt-30 -55.2 -21.14 12.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.51 ' CE3' ' CD1' ' A' ' 32' ' ' LEU . 52.8 m0 -71.21 -23.23 61.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 12.6 mtp-105 -73.79 -35.36 64.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -55.64 -57.1 13.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.7 t -135.22 132.58 38.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.5 tp -52.21 -35.98 50.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.6 -60.51 3.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -39.19 -34.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.51 ' CD1' ' CE3' ' A' ' 25' ' ' TRP . 30.9 tp -72.64 -64.87 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.2 mt -48.95 -47.47 43.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -50.11 -47.3 54.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -72.83 127.29 32.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -56.77 -50.99 70.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.57 ' CE2' HD23 ' A' ' 143' ' ' LEU . 2.4 t80 -53.5 -57.62 10.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.415 ' CA ' ' CH2' ' A' ' 25' ' ' TRP . . . -59.18 -42.11 97.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.43 -61.97 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.07 -49.54 6.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.046 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.8 m -68.31 -44.48 75.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -53.45 -40.98 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.651 ' HG2' HD13 ' A' ' 55' ' ' LEU . 37.6 mtpt -62.94 -64.65 0.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.842 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.6 t -43.45 -38.03 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.801 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.495 ' CD2' HD12 ' A' ' 46' ' ' LEU . 26.2 t80 -58.59 -41.17 85.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.829 HD23 ' HA ' ' A' ' 52' ' ' GLU . 7.3 mp -68.32 -49.81 57.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.436 ' HG3' ' CD ' ' A' ' 52' ' ' GLU . 36.0 mtpt -39.81 -40.73 1.01 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.892 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.1 t -67.19 -42.8 83.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 46' ' ' LEU . 5.2 mm-40 -82.04 -3.92 55.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 62.23 30.48 17.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.7 m -122.34 30.25 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.829 ' HA ' HD23 ' A' ' 46' ' ' LEU . 13.4 tt0 -74.51 -22.5 59.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 91' ' ' LYS . 3.9 pt-20 -53.08 -37.37 61.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.426 ' O ' HG21 ' A' ' 122' ' ' ILE . 2.0 m-20 -57.65 -39.46 77.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.666 HD22 HD11 ' A' ' 59' ' ' ILE . 1.4 tt -73.52 -50.14 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -40.93 -53.32 2.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -50.73 -37.93 44.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 55.7 t90 -67.31 -60.09 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.666 HD11 HD22 ' A' ' 55' ' ' LEU . 22.9 mt -47.28 -45.33 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.81 -44.65 95.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.064 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 63.3 m -47.76 -56.88 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.816 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -56.8 -47.23 80.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.81 -21.36 60.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.512 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.5 t80 -83.77 -32.85 25.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.967 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -67.06 -34.92 78.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.8 24.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.502 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 34.3 mt -91.05 98.01 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 22.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -109.06 130.05 23.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.665 0.745 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -14.49 36.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.732 2.288 . . . . 0.0 112.328 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.0 -48.61 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.042 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.502 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -60.67 -42.4 97.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.452 ' HG3' ' CG2' ' A' ' 67' ' ' ILE . 5.1 mtp -49.4 -39.8 33.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -89.33 -57.84 2.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -49.85 -59.58 3.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.429 ' HB2' ' HG3' ' A' ' 72' ' ' LYS . 27.7 tptt -47.58 -49.78 25.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -39.72 -50.47 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 0.1 OUTLIER -62.96 -35.76 81.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 76' ' ' LYS . 49.8 mt-30 -57.93 -54.34 48.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.3 mt -58.62 -28.91 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.683 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.5 OUTLIER -77.24 -46.63 22.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.497 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 14.7 mm-40 -65.94 -8.39 22.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.906 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 12.8 tt0 -104.83 -52.69 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -100.84 -53.44 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.545 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.29 26.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.547 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.1 OUTLIER -105.51 149.24 26.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.473 HG22 ' HG3' ' A' ' 88' ' ' GLU . 81.4 m -57.07 129.84 43.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.473 ' HG3' HG22 ' A' ' 87' ' ' THR . 9.9 mt-10 46.09 32.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.906 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -53.38 159.9 2.04 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.646 0.736 . . . . 0.0 111.08 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.0 Cg_endo -69.82 -31.56 20.03 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 53' ' ' GLU . 8.3 mtpp -123.39 17.37 9.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.755 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 35.1 tt0 -42.19 101.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.4 m -58.93 177.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -91.44 100.6 13.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.51 112.91 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.55 164.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -52.05 -35.61 47.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -51.61 -70.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 29.3 m -59.15 -49.36 78.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.47 -51.92 14.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -56.96 -47.63 80.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.3 mm -42.82 -65.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.2 m -40.79 -55.16 2.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mtp -44.53 -56.84 3.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.864 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -59.99 -21.02 60.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -91.11 5.0 50.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.683 HD11 ' CD2' ' A' ' 81' ' ' TYR . 61.5 mt -90.49 -2.64 57.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.0 t -76.88 -57.99 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 1.7 pt-20 -124.93 51.02 4.6 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.623 0.725 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 52.8 Cg_endo -69.78 128.3 15.81 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.703 2.268 . . . . 0.0 112.321 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.8 m -123.51 -65.87 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 112' ' ' LEU . 12.1 mt -134.73 -45.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 91.4 p -88.03 21.64 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 6.4 p -55.73 -44.04 77.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -111.31 37.07 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.04 -41.58 95.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.417 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 4.1 tpp -77.23 -58.29 3.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.04 -41.02 33.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -63.01 -57.81 9.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 117' ' ' MET . 3.7 pttp -60.4 -31.35 70.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.433 ' CD ' ' C ' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -63.43 -53.44 52.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.426 HG21 ' O ' ' A' ' 54' ' ' ASN . 7.1 mm -68.22 -49.56 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -50.19 -40.11 46.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' A' ' 128' ' ' LYS . . . -69.46 -27.43 65.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.043 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -80.45 -30.14 37.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 64.7 mtm -80.81 -9.24 59.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.647 ' O ' HD23 ' A' ' 131' ' ' LEU . 2.8 pt-20 -97.91 -24.6 15.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 124' ' ' ALA . 3.0 pttp -110.93 -6.94 14.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 7.0 t70 -112.38 -65.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 133' ' ' ARG . 16.1 m -76.91 -58.34 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 127' ' ' GLU . 3.9 tp -34.06 -54.65 0.83 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.626 0.726 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.6 Cg_endo -69.78 -27.98 25.69 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.762 2.308 . . . . 0.0 112.31 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 130' ' ' SER . 71.4 mtt-85 -86.92 -13.55 44.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.467 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.4 t80 -84.34 -51.35 7.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.456 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 34.4 m -53.26 -25.6 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -70.59 -45.01 66.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 23.6 p -61.94 141.22 58.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.77 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 138' ' ' GLU . 0.2 OUTLIER -42.96 -36.94 1.71 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.91 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 138' ' ' GLU . 88.4 m-85 -37.28 -38.95 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.769 ' HA ' HD12 ' A' ' 143' ' ' LEU . 70.8 t80 -85.11 -48.23 9.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -50.27 -31.92 15.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -77.23 -28.4 53.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.769 HD12 ' HA ' ' A' ' 140' ' ' TYR . 23.6 mt -66.76 -34.29 77.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 29.4 pt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -51.43 -52.27 47.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.974 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.667 ' HA ' HD12 ' A' ' 23' ' ' LEU . 8.7 m-20 -60.8 -17.47 49.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 24' ' ' GLN . 9.3 tt0 -85.09 -58.35 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.53 -35.55 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.092 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.667 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.0 mt -70.56 -37.35 73.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' GLU . 30.8 mt-30 -56.37 -23.46 37.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.484 ' HB3' HD13 ' A' ' 32' ' ' LEU . 48.2 m0 -70.62 -16.57 62.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 11.4 mtp-105 -78.83 -37.72 39.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -54.12 -58.3 7.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.0 m -135.47 132.14 37.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.8 tp -49.43 -42.11 41.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -45.84 -62.98 1.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.792 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 30' ' ' ASP . 4.2 mtpm? -36.25 -35.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.484 HD13 ' HB3' ' A' ' 25' ' ' TRP . 27.7 tp -74.16 -60.72 2.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.589 HD13 ' CE3' ' A' ' 58' ' ' TRP . 65.6 mt -51.22 -46.59 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -52.8 -45.88 67.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -71.76 125.38 27.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -55.79 -48.13 75.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -58.69 -57.94 10.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.87 -39.35 91.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.499 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.2 tp -64.14 -63.37 1.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 110.952 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.27 -51.92 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.2 m -67.14 -44.51 79.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.459 ' CE2' HD21 ' A' ' 33' ' ' LEU . 30.6 t80 -52.4 -46.83 66.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.607 ' HG2' HD13 ' A' ' 55' ' ' LEU . 36.4 mtpt -54.23 -64.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.3 t -39.46 -52.66 2.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.532 ' CD2' HD12 ' A' ' 46' ' ' LEU . 10.7 t80 -44.03 -40.2 4.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.532 HD12 ' CD2' ' A' ' 45' ' ' PHE . 10.1 mp -75.23 -50.96 14.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -40.62 -41.83 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.0 t -69.33 -39.65 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 46' ' ' LEU . 5.0 mm-40 -79.44 -9.19 59.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 68.86 31.53 4.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.9 m -127.54 31.36 5.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.785 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.463 ' HA ' HD23 ' A' ' 46' ' ' LEU . 10.2 tt0 -74.06 -23.55 59.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.476 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 8.6 pm0 -52.58 -35.65 54.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.476 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 12.9 m-20 -57.04 -41.62 78.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.681 HD22 ' CD1' ' A' ' 59' ' ' ILE . 1.1 tt -72.9 -44.01 61.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -45.99 -53.3 10.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.544 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 23.1 t80 -52.0 -32.29 33.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.589 ' CE3' HD13 ' A' ' 33' ' ' LEU . 33.3 t90 -73.62 -61.33 1.87 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.681 ' CD1' HD22 ' A' ' 55' ' ' LEU . 31.9 mt -48.37 -45.63 13.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.05 -52.2 66.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.059 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 57.2 m -44.9 -61.1 1.74 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -51.88 -43.1 63.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' A' ' 66' ' ' LYS . 7.3 t70 -64.14 -22.95 67.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.814 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.586 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -83.88 -21.67 31.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.81 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -66.88 -34.59 78.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 63' ' ' ASP . 12.3 ptpt -82.8 25.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.547 HG22 ' HG3' ' A' ' 73' ' ' MET . 29.1 mt -102.17 108.46 23.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.03 -32.69 13.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 m -45.39 133.24 5.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.657 0.742 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -21.9 32.74 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.665 2.244 . . . . 0.0 112.352 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.501 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -95.23 -35.94 11.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.483 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -70.83 -46.94 61.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.547 ' HG3' HG22 ' A' ' 67' ' ' ILE . 8.9 mtp -48.28 -38.28 18.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.7 -54.82 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.111 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 12.3 mm-40 -52.98 -55.94 19.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 17.4 tptm -54.33 -42.66 70.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.78 -50.28 45.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.56 -35.88 81.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -56.45 -49.68 73.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.2 mt -63.58 -30.81 50.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.638 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -76.45 -38.91 54.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 16.3 mm-40 -72.59 -11.04 60.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.598 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 17.9 tt0 -106.11 -39.91 5.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.412 ' C ' ' H ' ' A' ' 86' ' ' GLN . 79.2 m-85 -110.94 -57.73 2.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.564 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.3 mm -77.88 28.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.571 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -108.27 153.41 23.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.974 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.513 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 23.4 m -60.11 132.06 52.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.11 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.479 ' HG2' HG22 ' A' ' 87' ' ' THR . 18.5 pt-20 44.2 27.47 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.598 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -48.32 157.14 0.71 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.465 0.65 . . . . 0.0 111.164 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.0 Cg_endo -69.75 -26.14 27.91 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.743 2.295 . . . . 0.0 112.305 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -124.36 17.19 9.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.421 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 2.7 tp10 -38.95 127.16 1.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.452 HG23 HG12 ' A' ' 95' ' ' ILE . 16.1 m -89.79 173.05 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -85.89 98.52 10.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.452 HG12 HG23 ' A' ' 93' ' ' VAL . 1.7 pt -150.43 111.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -52.35 161.38 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -50.03 -36.28 28.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -50.94 -66.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 51.3 m -64.09 -48.53 75.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.09 -48.55 22.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.936 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -57.83 -45.59 85.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 31.0 mm -43.01 -66.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 97.0 m -40.25 -55.27 2.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.5 mtp -44.56 -57.89 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -59.54 -21.41 60.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -90.56 5.89 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.524 HD11 ' CD2' ' A' ' 81' ' ' TYR . 42.1 mt -91.58 -2.14 57.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.4 t -77.98 -58.32 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.513 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 7.1 mt-10 -123.26 50.45 3.1 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.671 0.748 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.9 Cg_endo -69.75 139.67 40.84 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.72 2.28 . . . . 0.0 112.371 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.0 m -133.67 -69.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.4 mt -133.02 -44.99 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.7 p -86.28 18.75 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.0 m -48.49 -53.67 17.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -102.61 40.12 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.51 -40.26 92.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 8.0 tpp -78.37 -59.04 2.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.544 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -50.05 -39.57 42.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.064 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.436 ' NE2' ' CD1' ' A' ' 58' ' ' TRP . 7.2 tp60 -62.83 -56.82 14.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -63.0 -29.78 71.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.481 ' CD ' ' C ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -64.3 -56.15 16.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 122' ' ' ILE . 11.4 mm -65.62 -41.78 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -55.8 -38.31 69.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 127' ' ' GLU . . . -69.97 -19.38 63.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -86.22 -53.68 4.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.455 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 29.9 mtm -61.03 -10.41 5.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.814 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.581 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.8 pt-20 -97.67 -23.9 15.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.434 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -111.86 -4.66 14.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.6 t0 -114.07 -65.75 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 133' ' ' ARG . 8.8 p -78.72 -55.55 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.619 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.6 tp -36.72 -53.23 1.86 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.615 0.721 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.8 Cg_endo -69.68 -25.34 29.06 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.39 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 130' ' ' SER . 14.1 mmt180 -91.29 -13.26 32.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.468 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 23.1 t80 -84.1 -41.55 17.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.501 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 29.3 m -60.52 -37.68 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -64.74 -46.68 81.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 17.4 p -58.27 139.29 55.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 139' ' ' PHE . 3.6 mt-10 -42.19 -38.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 138' ' ' GLU . 95.7 m-85 -37.01 -36.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.792 ' HA ' HD12 ' A' ' 143' ' ' LEU . 48.4 t80 -90.39 -42.87 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -51.76 -33.08 33.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -75.58 -23.86 56.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.792 HD12 ' HA ' ' A' ' 140' ' ' TYR . 38.3 mt -71.85 -35.36 69.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 25.6 pt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.854 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.904 0.383 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.89 -63.0 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.605 ' HA ' HD12 ' A' ' 23' ' ' LEU . 3.3 t70 -52.66 -16.14 0.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 24' ' ' GLN . 3.1 tp10 -85.89 -57.15 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.428 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -40.33 -33.88 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.9 mt -72.58 -39.82 67.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 21' ' ' GLU . 17.6 mt-30 -56.13 -19.44 13.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.465 ' HB3' HD13 ' A' ' 32' ' ' LEU . 49.6 m0 -73.03 -21.16 60.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.524 ' HG2' HG11 ' A' ' 135' ' ' VAL . 74.4 mtp180 -78.92 -34.33 44.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.82 -56.02 27.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 t -134.83 127.22 30.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.849 HD21 ' SD ' ' A' ' 126' ' ' MET . 6.3 tp -51.98 -34.43 42.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -56.81 -42.83 80.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -57.6 -27.97 63.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.465 HD13 ' HB3' ' A' ' 25' ' ' TRP . 24.0 tp -80.1 -53.23 6.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.9 mt -56.76 -52.53 64.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.485 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -45.8 -28.28 1.03 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.979 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.485 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 5.2 m120 -91.24 127.91 36.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -60.9 -45.85 92.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -59.49 -58.81 6.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.41 -37.95 89.31 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' ALA . 49.6 tp -62.37 -64.75 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -37.74 -57.75 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.3 t -59.35 -42.94 92.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.811 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -52.99 -38.59 62.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.598 ' HG2' HD13 ' A' ' 55' ' ' LEU . 36.3 mtpt -69.78 -63.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.9 t -44.08 -37.96 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CE2' ' OE2' ' A' ' 49' ' ' GLU . 23.7 t80 -61.65 -47.83 83.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.925 HD23 ' OE2' ' A' ' 49' ' ' GLU . 34.3 mt -55.54 -39.71 70.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -53.49 -36.34 61.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m -68.42 -38.63 81.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.925 ' OE2' HD23 ' A' ' 46' ' ' LEU . 2.5 pt-20 -90.5 -5.92 55.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 68.02 25.7 7.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -111.16 25.64 11.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.508 ' HA ' HD13 ' A' ' 46' ' ' LEU . 2.7 tt0 -72.04 -14.56 61.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.412 ' O ' HG12 ' A' ' 93' ' ' VAL . 3.6 pt-20 -68.5 -29.12 67.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.59 ' O ' HG21 ' A' ' 122' ' ' ILE . 6.7 m-20 -65.82 -47.82 73.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.598 HD13 ' HG2' ' A' ' 43' ' ' LYS . 0.8 OUTLIER -65.51 -49.42 69.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -38.89 -59.13 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.68 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 15.7 t80 -44.76 -37.87 4.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 48.1 t90 -68.83 -67.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.579 ' CD1' HD22 ' A' ' 55' ' ' LEU . 33.7 mt -39.53 -47.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.01 -50.8 72.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 55.7 m -43.52 -53.57 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.75 -46.42 87.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -61.03 -20.88 63.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.586 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -86.38 -30.69 21.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.86 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -67.29 -30.4 70.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -82.75 19.45 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.499 HG22 ' HG3' ' A' ' 73' ' ' MET . 43.2 mt -93.74 105.82 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -84.0 -25.13 30.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.406 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 2.1 m -62.52 139.26 96.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -46.02 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.76 -60.6 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.477 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -44.39 -57.33 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.499 ' HG3' HG22 ' A' ' 67' ' ' ILE . 12.9 mtp -39.53 -36.01 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.8 -61.44 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.091 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -50.45 -56.68 10.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 41.0 tptt -50.68 -44.5 57.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.548 ' HB2' ' HE2' ' A' ' 64' ' ' TYR . . . -48.53 -50.43 31.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.053 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.497 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 4.7 pttp -60.35 -38.84 85.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.497 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 32.0 mt-30 -53.27 -54.81 30.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.2 mt -57.5 -25.88 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.606 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -80.25 -45.38 18.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.486 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 11.0 mt-10 -66.71 -8.26 26.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.898 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 12.8 tt0 -104.98 -52.88 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -100.51 -53.62 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.549 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -78.9 25.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.621 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.53 153.8 21.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.513 HG22 ' HG2' ' A' ' 88' ' ' GLU . 22.9 m -58.24 135.49 57.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.513 ' HG2' HG22 ' A' ' 87' ' ' THR . 19.6 pt-20 38.53 31.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.898 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -51.62 160.74 0.97 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.672 0.749 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.589 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.5 Cg_endo -69.78 -32.94 17.48 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -121.37 13.32 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.823 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 32.7 tt0 -39.51 99.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.467 HG23 HG12 ' A' ' 95' ' ' ILE . 27.3 m -57.81 -179.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -95.49 100.02 11.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.467 HG12 HG23 ' A' ' 93' ' ' VAL . 0.9 OUTLIER -144.28 114.25 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -51.79 161.5 0.53 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -50.29 -38.24 40.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.805 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -49.76 -68.74 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.438 HG21 ' HG3' ' A' ' 121' ' ' ARG . 71.4 m -60.12 -51.34 70.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.77 -50.58 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.33 -49.26 77.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 22.2 mm -41.84 -62.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 95.1 m -43.44 -52.35 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.0 mtp -48.16 -55.28 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -61.36 -20.28 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -91.55 6.65 44.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.482 HD11 ' CD2' ' A' ' 81' ' ' TYR . 36.9 mt -92.76 -2.68 55.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.1 t -77.78 -58.31 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 4.4 mm-40 -123.26 50.94 3.38 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.735 0.779 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.1 Cg_endo -69.71 136.62 33.59 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.3 t -130.81 -67.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.3 mt -134.13 -44.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.6 p -87.83 20.43 3.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.2 p -57.42 -36.88 71.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -116.42 37.55 3.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -69.64 -44.14 71.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 4.3 tpp -72.8 -58.71 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.68 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -50.73 -45.31 58.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -58.07 -57.18 13.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -27.84 69.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.438 ' HG3' HG21 ' A' ' 99' ' ' THR . 0.1 OUTLIER -65.31 -53.35 45.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.59 HG21 ' O ' ' A' ' 54' ' ' ASN . 10.6 mm -68.2 -47.67 77.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.711 ' CE1' HD23 ' A' ' 29' ' ' LEU . 7.7 t-80 -53.22 -36.0 60.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 128' ' ' LYS . . . -71.54 -21.99 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.055 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.5 -45.5 10.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.849 ' SD ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -66.1 -9.57 32.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.834 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.933 ' O ' HD23 ' A' ' 131' ' ' LEU . 3.4 pt-20 -95.78 -22.06 17.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 124' ' ' ALA . 7.0 pttp -111.36 -9.96 14.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -106.85 -66.85 0.98 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 133' ' ' ARG . 98.7 p -79.04 -57.76 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.933 HD23 ' O ' ' A' ' 127' ' ' GLU . 3.3 tp -30.82 -55.33 0.39 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.627 0.727 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.607 ' O ' HG22 ' A' ' 135' ' ' VAL . 53.6 Cg_endo -69.66 -33.95 15.92 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.417 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 130' ' ' SER . 38.7 mtp85 -80.29 -13.17 59.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.555 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 21.9 t80 -86.84 -32.43 20.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 132' ' ' PRO . 35.0 m -70.62 -29.4 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 19.0 mtt85 -69.21 -41.75 76.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 86.7 p -61.25 165.25 4.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 139' ' ' PHE . 2.2 tt0 -62.53 -40.05 95.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 138' ' ' GLU . 97.5 m-85 -35.74 -41.32 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.796 ' HA ' HD12 ' A' ' 143' ' ' LEU . 63.7 t80 -84.71 -50.35 7.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -46.3 -33.73 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 2.7 pt-20 -76.56 -32.03 57.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.796 HD12 ' HA ' ' A' ' 140' ' ' TYR . 33.9 mt -61.96 -34.42 76.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.428 HG22 ' HB3' ' A' ' 22' ' ' ALA . 31.9 pt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.13 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.413 -0.275 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 m -144.72 113.64 6.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.928 0.394 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -62.74 129.25 39.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.05 152.52 20.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.432 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 t -138.11 128.32 25.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.833 0.349 . . . . 0.0 110.842 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.5 p -79.96 177.21 9.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.5 161.54 31.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -178.9 2.58 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.342 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -139.37 -179.19 5.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -113.88 145.83 34.33 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.576 0.703 . . . . 0.0 110.869 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.84 -174.19 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.305 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.4 -178.98 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 tttp -123.78 171.69 9.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -174.77 173.4 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -46.78 170.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -131.64 -69.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.525 HG21 ' CH2' ' A' ' 25' ' ' TRP . 1.3 m -158.07 142.41 16.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.99 162.85 13.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -57.51 11.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.55 ' HA ' HD12 ' A' ' 23' ' ' LEU . 10.2 t70 -54.9 -13.87 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 24' ' ' GLN . 6.0 tp10 -91.46 -58.28 2.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.17 -33.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.201 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.2 mt -72.64 -37.19 68.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' GLU . 34.7 mt-30 -54.43 -22.62 13.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.583 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 51.9 m0 -72.57 -23.56 60.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -69.32 -42.48 75.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.62 -59.09 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 m -130.13 132.6 46.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.486 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 7.1 tp -57.7 -42.14 83.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -39.39 -60.86 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -39.03 -41.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.524 ' CD1' ' CE3' ' A' ' 25' ' ' TRP . 28.2 tp -64.27 -66.32 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.502 HD13 ' CD2' ' A' ' 58' ' ' TRP . 70.3 mt -47.47 -47.65 27.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.984 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -52.92 -44.85 67.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -71.58 123.29 22.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -55.3 -45.04 76.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.416 ' CE2' HD23 ' A' ' 143' ' ' LEU . 2.1 t80 -61.74 -58.36 8.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.7 -40.48 88.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.01 -62.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.0 -50.64 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.081 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -67.16 -45.1 78.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -51.96 -45.82 64.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.609 ' HG2' HD13 ' A' ' 55' ' ' LEU . 35.8 mtpt -54.59 -64.46 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.9 t -41.29 -49.2 3.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -47.41 -49.98 23.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.495 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 89.8 mt -62.59 -53.3 56.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -39.96 -38.89 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.8 t -74.35 -39.02 63.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.548 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 23.3 mm-40 -86.62 18.72 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 35.5 p90 45.75 28.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.74 25.65 10.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.99 -19.21 63.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.0 pm0 -66.0 -25.68 67.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.443 ' C ' ' SD ' ' A' ' 126' ' ' MET . 21.2 m-20 -64.47 -47.27 79.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.68 HD22 HD11 ' A' ' 59' ' ' ILE . 1.2 tt -69.74 -43.66 71.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -44.18 -59.17 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.524 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 26.8 t80 -48.26 -34.04 9.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.502 ' CD2' HD13 ' A' ' 33' ' ' LEU . 55.2 t90 -70.03 -60.27 2.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.68 HD11 HD22 ' A' ' 55' ' ' LEU . 27.6 mt -48.58 -48.6 14.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.87 -47.86 79.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 58.8 m -46.83 -56.66 5.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -56.91 -44.15 82.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.95 -17.03 61.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.582 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -90.95 -32.18 16.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -62.54 -34.05 76.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -82.58 21.77 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.576 HG22 ' HG3' ' A' ' 73' ' ' MET . 33.2 mt -98.69 111.27 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 69' ' ' SER . 2.5 pptp? -91.33 -34.69 14.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.441 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 3.3 m -45.43 131.8 6.12 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.621 0.724 . . . . 0.0 110.845 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -23.75 30.29 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -89.94 -44.5 9.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 2.4 tptm -62.79 -50.31 71.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.576 ' HG3' HG22 ' A' ' 67' ' ' ILE . 10.0 mtp -44.26 -37.79 3.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -89.62 -60.67 1.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -49.05 -57.16 7.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 18.5 tptm -49.77 -43.58 48.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -49.38 -50.79 38.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.028 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -60.76 -33.93 73.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -58.74 -53.96 52.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.4 mt -58.11 -33.16 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.605 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -73.72 -46.22 47.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 5.0 mm-40 -66.4 -8.34 25.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.847 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 10.3 tt0 -103.83 -51.59 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.435 ' C ' ' H ' ' A' ' 86' ' ' GLN . 70.8 m-85 -103.21 -54.5 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.542 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -77.01 25.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.179 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.503 ' HB2' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -105.21 147.6 27.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.441 HG22 ' HG2' ' A' ' 88' ' ' GLU . 21.8 m -53.65 127.24 24.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.441 ' HG2' HG22 ' A' ' 87' ' ' THR . 3.7 mm-40 44.72 33.64 1.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.847 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -51.87 162.78 0.73 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.623 0.725 . . . . 0.0 111.078 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.667 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.8 Cg_endo -69.71 -33.11 17.42 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.676 2.25 . . . . 0.0 112.338 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 92' ' ' GLU . 11.1 mtpp -121.55 14.79 11.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.618 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 37.7 tt0 -36.38 105.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.525 HG23 HG12 ' A' ' 95' ' ' ILE . 33.8 m -63.58 177.53 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -91.61 96.58 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.525 HG12 HG23 ' A' ' 93' ' ' VAL . 1.3 pt -144.68 112.77 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -51.44 164.08 0.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -53.11 -34.38 56.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.402 ' O ' HG12 ' A' ' 102' ' ' ILE . 18.1 t80 -52.15 -70.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.427 HG21 ' HG3' ' A' ' 121' ' ' ARG . 48.3 m -59.26 -48.06 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.188 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.495 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -47.13 -51.64 17.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -55.67 -46.95 77.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 98' ' ' PHE . 26.6 mm -43.51 -66.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 118' ' ' ALA . 70.2 m -39.9 -53.16 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mtp -46.71 -56.46 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -60.88 -19.13 59.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -92.66 6.06 48.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.522 HD11 ' CD2' ' A' ' 81' ' ' TYR . 37.1 mt -92.18 -2.45 56.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.7 t -78.0 -58.39 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.506 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 8.3 mt-10 -122.78 50.38 2.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.604 0.716 . . . . 0.0 110.775 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.4 Cg_endo -69.66 137.81 36.64 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.704 2.269 . . . . 0.0 112.383 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.9 m -131.93 -68.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.0 mt -133.4 -45.22 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 72.8 m -90.11 22.19 3.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.42 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 3.6 p -55.22 -42.15 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -108.87 38.28 2.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -63.13 -50.87 68.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.408 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 5.4 tpp -67.85 -58.74 4.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.524 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -46.99 -43.46 19.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.01 -57.71 10.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 117' ' ' MET . 4.3 pttp -61.33 -27.19 68.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.439 ' C ' ' HD2' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -66.66 -56.59 9.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.808 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 122' ' ' ILE . 12.0 mm -65.99 -42.63 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -55.94 -37.11 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.72 -22.08 61.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.438 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -83.38 -42.8 16.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.443 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 41.0 mtm -71.79 -11.14 60.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.706 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.8 pt-20 -98.58 -24.67 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.823 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.423 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -110.96 -4.27 15.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 13.0 t70 -116.11 -65.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 134' ' ' PHE . 4.3 m -76.11 -55.23 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 127' ' ' GLU . 4.4 tp -38.17 -54.29 2.67 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.61 0.719 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.9 Cg_endo -69.7 -21.98 33.0 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.375 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 130' ' ' SER . 74.4 mtt180 -94.43 -13.28 26.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 130' ' ' SER . 26.3 t80 -85.6 -37.57 19.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.514 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 24.5 m -63.53 -37.29 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -66.99 -31.36 71.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.5 p -68.32 165.63 18.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 139' ' ' PHE . 0.8 OUTLIER -62.82 -49.01 76.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.466 ' C ' ' O ' ' A' ' 138' ' ' GLU . 65.1 m-85 -32.5 -37.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.734 ' HA ' HD12 ' A' ' 143' ' ' LEU . 54.2 t80 -82.16 -49.95 9.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 138' ' ' GLU . 67.2 mm-40 -47.54 -32.79 5.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -79.03 -26.05 43.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' A' ' 140' ' ' TYR . 25.0 mt -74.38 -32.95 62.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.715 HD13 ' CE2' ' A' ' 140' ' ' TYR . 30.2 pt -104.2 -43.45 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.49 ' N ' HG13 ' A' ' 144' ' ' ILE . 1.4 m -104.63 37.55 2.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.42 ' HA3' ' HD2' ' A' ' 147' ' ' PRO . . . -77.25 -144.51 1.93 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.543 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.42 ' HD2' ' HA3' ' A' ' 146' ' ' GLY . 53.8 Cg_endo -69.88 1.11 4.81 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.658 2.238 . . . . 0.0 112.32 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 8.9 t -113.9 172.88 6.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.804 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 29.4 t -91.94 161.34 14.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.552 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -160.03 134.64 7.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 110.835 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.9 p -154.38 172.59 17.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.838 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.8 170.66 38.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.508 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.0 p -172.93 173.67 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.3 p -163.94 178.05 8.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.01 141.79 8.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -173.24 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.626 2.217 . . . . 0.0 112.408 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -175.0 128.67 0.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.448 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 36.3 tttt -107.18 141.42 22.88 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.542 0.687 . . . . 0.0 110.948 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 10' ' ' LYS . 53.3 Cg_endo -69.77 -166.39 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.34 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.21 179.36 6.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.64 132.69 45.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.3 p -92.07 -179.02 5.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.199 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.498 ' O ' ' C ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -133.29 -174.2 3.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 15' ' ' GLN . 25.9 mtmt -30.29 143.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.99 HG21 ' CH2' ' A' ' 25' ' ' TRP . 92.3 m -92.53 128.72 38.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 m -82.05 153.31 26.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 144' ' ' ILE . 0.4 OUTLIER -52.23 -58.83 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.942 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.711 ' HA ' HD12 ' A' ' 23' ' ' LEU . 11.9 t70 -51.77 -16.68 0.72 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.829 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' GLN . 9.3 tt0 -88.73 -58.11 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.558 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -42.31 -31.68 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.026 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.4 mt -73.47 -36.8 65.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' GLU . 45.7 mt-30 -55.7 -23.07 26.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.99 ' CH2' HG21 ' A' ' 17' ' ' THR . 33.9 m0 -70.81 -19.47 62.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.442 ' HG2' HG11 ' A' ' 135' ' ' VAL . 57.2 mtp180 -78.44 -45.78 21.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -53.12 -57.07 11.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -131.45 136.05 47.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.508 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 19.9 tp -55.56 -47.46 76.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 31' ' ' LYS . 14.0 t0 -40.05 -62.36 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -38.24 -33.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.584 HD13 ' HB3' ' A' ' 25' ' ' TRP . 28.6 tp -76.24 -61.95 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.1 mt -50.62 -51.75 45.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -50.16 -45.29 53.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -70.69 123.71 22.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -56.8 -46.38 81.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.408 ' CE2' HD23 ' A' ' 143' ' ' LEU . 2.3 t80 -59.86 -55.15 37.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.93 -41.7 97.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.71 -62.99 1.46 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.833 0.349 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.0 -55.21 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.8 p -61.26 -46.11 91.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.793 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -50.99 -39.14 54.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -61.35 -62.77 1.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 t -41.34 -43.72 2.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -55.53 -48.6 74.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 93.7 mt -64.88 -57.28 9.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -43.18 -48.46 6.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -66.27 -38.54 88.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -84.1 -1.68 55.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' LEU . 35.9 m-85 65.39 35.74 7.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.427 ' O ' HD22 ' A' ' 46' ' ' LEU . 38.4 m -128.72 33.11 4.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -76.23 -25.08 54.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 pm0 -54.59 -31.59 57.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.456 ' C ' ' SD ' ' A' ' 126' ' ' MET . 2.8 m-20 -62.92 -48.47 78.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.722 HD22 ' CD1' ' A' ' 59' ' ' ILE . 1.1 tt -71.21 -45.97 62.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -43.26 -55.91 3.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 20.3 t80 -50.44 -32.99 19.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -73.22 -59.96 2.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.722 ' CD1' HD22 ' A' ' 55' ' ' LEU . 36.6 mt -48.84 -47.74 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.066 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.35 -52.48 63.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.104 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.6 m -45.14 -64.11 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -47.61 -43.6 25.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -63.94 -24.53 67.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.59 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -83.18 -19.36 36.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.767 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.632 ' O ' HD22 ' A' ' 112' ' ' LEU . 15.1 mmtp -70.92 -32.79 69.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -81.48 18.46 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.572 HG22 ' HG3' ' A' ' 73' ' ' MET . 21.4 mt -94.92 105.0 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -89.29 -34.84 16.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.441 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 1.8 m -47.29 136.35 9.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.651 0.739 . . . . 0.0 110.837 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -24.68 29.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.28 -58.37 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.057 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.459 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -49.11 -50.56 36.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.572 ' HG3' HG22 ' A' ' 67' ' ' ILE . 8.8 mtp -45.09 -37.59 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.51 -59.33 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -51.46 -59.66 4.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.417 ' HB2' ' NZ ' ' A' ' 72' ' ' LYS . 20.3 tptm -45.79 -47.17 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.0 -48.28 32.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -60.84 -30.39 70.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -63.96 -55.93 18.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 36.3 mt -57.29 -30.31 35.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.185 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.663 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.6 OUTLIER -78.12 -47.3 18.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.914 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.489 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 5.0 mm-40 -65.59 -7.92 17.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.829 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 21.4 tt0 -104.1 -53.58 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.426 ' C ' ' H ' ' A' ' 86' ' ' GLN . 65.8 m-85 -101.15 -53.68 2.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.54 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -77.58 24.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.68 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.45 151.81 23.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.497 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 43.9 m -54.77 133.18 47.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.451 ' HG2' HG22 ' A' ' 87' ' ' THR . 23.4 pt-20 35.15 34.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.829 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -50.83 165.7 0.35 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.582 0.706 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.745 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.8 Cg_endo -69.75 -33.94 15.62 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -121.81 17.58 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 7.3 tt0 -39.84 100.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.518 HG11 ' HB2' ' A' ' 57' ' ' PHE . 33.2 m -58.66 -178.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -96.36 96.88 9.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.51 HG12 HG23 ' A' ' 93' ' ' VAL . 1.3 pt -143.91 113.15 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -51.44 165.59 0.15 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.791 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -54.6 -35.65 63.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.401 ' O ' HG12 ' A' ' 102' ' ' ILE . 12.3 t80 -51.03 -68.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.0 m -61.44 -48.38 81.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.76 -51.6 15.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -56.25 -46.57 79.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.813 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 98' ' ' PHE . 17.0 mm -44.03 -65.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.2 m -39.99 -51.32 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.4 mtp -49.29 -55.54 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -61.32 -19.2 61.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.97 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -92.99 4.73 53.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.663 HD11 ' CD2' ' A' ' 81' ' ' TYR . 57.3 mt -91.03 -0.69 57.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.408 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 13.9 t -80.22 -58.01 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.527 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 9.9 mt-10 -121.87 48.96 1.8 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.677 0.751 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.3 Cg_endo -69.78 139.65 40.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.386 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.1 t -132.76 -71.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.632 HD22 ' O ' ' A' ' 65' ' ' LYS . 83.7 mt -131.35 -44.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.4 m -92.11 24.97 3.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.468 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 2.5 p -59.49 -40.17 86.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -108.62 38.23 2.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -66.3 -56.3 11.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 5.7 tpp -59.75 -60.77 3.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.568 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -50.22 -35.21 25.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -69.43 -51.66 34.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -66.41 -29.25 69.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -60.09 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' ' 122' ' ' ILE . 8.3 mm -58.73 -40.03 78.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.427 ' CD2' HD23 ' A' ' 29' ' ' LEU . 5.1 t-80 -57.08 -37.28 71.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.23 -20.35 62.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.0 -43.32 13.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.456 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 47.9 mtm -69.94 -10.33 58.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.773 ' O ' HD23 ' A' ' 131' ' ' LEU . 6.1 pt-20 -98.01 -24.7 15.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.31 -5.17 14.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -113.17 -66.63 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 133' ' ' ARG . 33.0 m -78.04 -55.93 4.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.773 HD23 ' O ' ' A' ' 127' ' ' GLU . 4.0 tp -34.66 -54.43 0.97 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.648 0.737 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.3 Cg_endo -69.75 -26.84 27.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.739 2.293 . . . . 0.0 112.307 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 130' ' ' SER . 61.9 mtm180 -88.51 -13.65 39.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.788 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 130' ' ' SER . 15.2 t80 -84.32 -39.1 19.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.465 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 28.2 m -67.84 -23.03 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.093 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -71.69 -41.29 68.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 97.9 p -65.24 175.9 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -74.75 -34.88 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -40.86 -32.69 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.768 ' HA ' HD12 ' A' ' 143' ' ' LEU . 59.1 t80 -91.26 -49.59 6.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.96 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 145' ' ' SER . 86.4 mm-40 -48.88 -30.79 6.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -78.29 -26.27 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' A' ' 140' ' ' TYR . 34.3 mt -68.46 -33.75 74.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 145' ' ' SER . 24.2 pt -101.01 -42.95 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 14.1 t -66.69 -34.9 78.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -49.47 178.64 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.493 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 149' ' ' SER . 53.6 Cg_endo -69.7 -0.48 6.93 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.747 2.298 . . . . 0.0 112.365 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 78.5 p -38.86 -30.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.813 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 147' ' ' PRO . 19.4 p -146.96 172.82 13.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.431 -179.91 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -110.57 121.55 45.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 110.882 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -96.74 132.25 42.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.75 97.97 0.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.549 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.4 m -101.49 -44.08 5.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.918 0.389 . . . . 0.0 110.844 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -86.46 154.5 21.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' A' ' 9' ' ' GLU . . . -159.56 60.54 0.31 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 18.09 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.339 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.469 ' H ' ' C ' ' A' ' 7' ' ' GLY . 8.7 pt-20 -78.37 47.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -100.16 140.91 21.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 159.95 51.48 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.739 2.292 . . . . 0.0 112.347 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.71 114.08 11.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -166.64 166.87 15.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 t -98.93 136.45 38.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -171.22 178.11 3.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -83.58 174.89 10.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.504 HG21 ' CH2' ' A' ' 25' ' ' TRP . 95.6 m -116.55 144.32 44.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -100.96 153.57 19.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -51.41 -62.55 1.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.668 ' HA ' HD12 ' A' ' 23' ' ' LEU . 2.9 m-20 -51.94 -16.61 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 24' ' ' GLN . 10.1 tt0 -85.98 -58.1 2.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.478 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -40.72 -33.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.5 mt -73.16 -37.37 66.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' GLU . 25.9 mt-30 -56.17 -21.84 25.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.504 ' CH2' HG21 ' A' ' 17' ' ' THR . 51.8 m0 -71.96 -20.72 61.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.417 ' HG2' HG11 ' A' ' 135' ' ' VAL . 44.4 mtp180 -74.45 -38.77 62.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -54.66 -58.49 7.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -135.1 121.6 20.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 tp -44.61 -40.23 5.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.941 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -44.89 -52.96 8.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -48.8 -33.3 10.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.0 tp -72.32 -60.81 2.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.531 HD13 ' CE3' ' A' ' 58' ' ' TRP . 81.2 mt -52.68 -44.45 66.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -53.33 -45.39 69.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -72.46 127.79 33.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -56.28 -49.97 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.47 ' CE2' HD23 ' A' ' 143' ' ' LEU . 2.1 t80 -58.28 -57.91 10.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.12 -42.38 87.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.4 tp -59.6 -63.97 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.26 -50.49 3.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -64.07 -47.33 80.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.808 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -50.51 -41.06 53.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.604 ' HG2' HD13 ' A' ' 55' ' ' LEU . 33.3 mtpt -62.25 -63.02 1.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 t -38.96 -49.05 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.49 ' CE1' ' HG3' ' A' ' 49' ' ' GLU . 15.0 t80 -52.15 -49.71 63.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.532 HD22 ' O ' ' A' ' 51' ' ' SER . 91.6 mt -59.63 -56.91 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -41.81 -43.86 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -70.24 -43.38 70.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.49 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 5.5 mm-40 -78.68 -4.41 48.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 46' ' ' LEU . 22.9 m-85 66.84 36.99 4.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.532 ' O ' HD22 ' A' ' 46' ' ' LEU . 37.7 m -129.68 33.4 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.921 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -74.85 -26.75 59.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.474 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 25.6 pm0 -54.76 -31.43 58.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.474 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 2.7 m-20 -60.98 -53.31 58.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.668 HD22 ' CD1' ' A' ' 59' ' ' ILE . 0.7 OUTLIER -63.7 -47.28 81.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.965 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -42.14 -57.68 2.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.566 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 18.1 t80 -49.08 -34.5 13.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.531 ' CE3' HD13 ' A' ' 33' ' ' LEU . 38.4 t90 -71.23 -62.83 1.26 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.668 ' CD1' HD22 ' A' ' 55' ' ' LEU . 43.6 mt -46.42 -43.36 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.15 -46.99 86.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.036 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 65.1 m -50.61 -59.64 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -54.62 -35.15 63.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -71.23 -33.91 70.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.514 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.1 t80 -69.11 -26.27 64.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 61' ' ' CYS . 28.4 mmtt -68.85 -29.88 68.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -69.22 -5.12 20.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.955 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.554 HG22 ' HG3' ' A' ' 73' ' ' MET . 27.2 mt -80.66 123.3 37.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.192 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.56 3.85 14.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.5 t -84.24 139.07 39.04 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.702 0.763 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -10.39 28.45 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.715 2.276 . . . . 0.0 112.339 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -105.18 -53.52 2.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -57.93 -41.75 83.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.554 ' HG3' HG22 ' A' ' 67' ' ' ILE . 6.8 mtp -54.69 -33.03 60.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.824 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.73 -56.21 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.08 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -55.35 -58.38 7.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.546 ' HG2' HD11 ' A' ' 67' ' ' ILE . 19.1 tptm -47.61 -44.27 26.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.64 -49.13 57.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 6.5 pttm -60.23 -35.82 76.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.419 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 64.0 mt-30 -57.69 -56.66 19.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 35.7 mt -55.7 -30.8 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.609 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -75.96 -44.77 38.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.497 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 13.3 mm-40 -66.72 -8.21 26.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.862 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 10.6 tt0 -105.1 -52.85 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.402 ' C ' ' H ' ' A' ' 86' ' ' GLN . 68.4 m-85 -100.84 -53.77 2.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.547 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.2 mm -78.89 25.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.672 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.9 153.92 21.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.492 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 29.0 m -57.57 134.11 55.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.482 ' HG2' HG22 ' A' ' 87' ' ' THR . 12.6 pt-20 37.34 31.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.862 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -49.66 162.59 0.44 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.571 0.7 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.654 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.4 Cg_endo -69.83 -30.17 22.4 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.64 2.227 . . . . 0.0 112.384 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -124.95 17.43 8.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.601 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 58.1 tt0 -40.6 100.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.517 HG11 ' HB2' ' A' ' 57' ' ' PHE . 32.8 m -58.84 -175.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -100.06 101.69 12.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -147.67 113.88 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -49.42 161.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -51.4 -37.23 47.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -50.8 -68.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 37.5 m -60.31 -49.65 76.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.175 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 104' ' ' MET . 0.1 OUTLIER -47.23 -47.73 24.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -61.59 -47.45 85.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.9 mm -43.41 -63.07 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -42.82 -52.66 4.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.144 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 100' ' ' LYS . 3.0 mtp -47.33 -55.98 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.827 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -60.35 -22.53 63.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -89.61 6.1 42.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.574 HD11 ' CD2' ' A' ' 81' ' ' TYR . 60.9 mt -92.03 -0.78 57.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.4 t -79.4 -57.9 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.525 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 7.4 mt-10 -123.1 49.68 2.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.71 0.767 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.5 Cg_endo -69.76 134.47 28.05 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.612 2.208 . . . . 0.0 112.358 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.7 t -123.57 -70.65 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.0 mt -134.83 -45.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.402 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 55.9 p -87.91 19.53 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.453 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 1.3 p -56.41 -42.43 77.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.837 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 30.8 m-85 -105.04 36.38 2.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.798 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 113' ' ' SER . 10.6 p-10 -68.46 -49.43 59.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 2.9 tpp -63.61 -66.46 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.566 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -46.64 -42.05 15.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.437 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 41.9 tt0 -60.11 -53.7 54.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -25.28 65.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.512 ' CD ' ' C ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -67.33 -54.67 18.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 122' ' ' ILE . 10.4 mm -64.88 -42.12 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -53.91 -37.88 64.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.66 -22.86 62.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 129' ' ' ASP . 0.7 OUTLIER -83.97 -43.47 15.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.454 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 38.1 mtm -71.05 -11.05 60.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.467 ' O ' HD23 ' A' ' 131' ' ' LEU . 6.1 pt-20 -98.41 -23.69 15.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.444 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -110.43 -5.26 15.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 132' ' ' PRO . 34.8 t70 -115.85 -65.17 1.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.912 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 133' ' ' ARG . 42.2 m -75.75 -58.86 3.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.61 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.4 tp -35.59 -54.05 1.29 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.7 Cg_endo -69.78 -25.83 28.13 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.718 2.278 . . . . 0.0 112.356 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 130' ' ' SER . 14.4 mtp85 -89.91 -13.38 36.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.4 t80 -86.75 -42.84 13.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.455 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 28.6 m -56.11 -37.7 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -66.16 -44.79 83.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 23.1 p -57.0 136.96 56.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.804 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 139' ' ' PHE . 2.2 mm-40 -41.66 -39.41 1.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 138' ' ' GLU . 97.2 m-85 -37.59 -38.38 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.73 ' HA ' HD12 ' A' ' 143' ' ' LEU . 48.7 t80 -86.03 -43.92 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.923 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.49 ' O ' ' CB ' ' A' ' 145' ' ' SER . 79.7 mm-40 -51.91 -32.01 30.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -78.0 -25.12 47.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' A' ' 140' ' ' TYR . 33.8 mt -70.08 -34.94 73.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.478 HG22 ' HB3' ' A' ' 22' ' ' ALA . 29.9 pt -99.16 -40.48 8.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 16.5 t -68.53 -40.86 80.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 145' ' ' SER . . . -45.12 172.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.529 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 111.69 2.88 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 9.7 t -124.34 178.38 5.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.1 t -130.55 148.85 52.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.525 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -115.82 137.3 52.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.6 t -82.21 -50.08 9.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.6 110.2 1.11 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -86.25 128.47 34.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.0 m -69.72 -175.86 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.418 ' HA2' ' HD2' ' A' ' 8' ' ' PRO . . . -103.35 111.69 4.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.537 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.523 ' O ' ' C ' ' A' ' 9' ' ' GLU . 53.4 Cg_endo -69.82 7.01 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.332 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.523 ' C ' ' O ' ' A' ' 8' ' ' PRO . 15.8 pt-20 -27.74 133.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -68.8 155.39 93.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.729 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 80.43 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -172.5 -176.96 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -63.92 114.61 4.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.535 HG21 ' ND2' ' A' ' 36' ' ' ASN . 2.2 t -44.82 162.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.455 ' C ' ' HG3' ' A' ' 16' ' ' LYS . 1.5 pt20 -125.89 -68.16 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.455 ' HG3' ' C ' ' A' ' 15' ' ' GLN . 0.6 OUTLIER -144.95 171.42 14.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.547 HG21 ' CH2' ' A' ' 25' ' ' TRP . 64.5 m -98.38 142.14 30.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 m -87.07 142.7 27.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -46.0 -62.6 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.67 ' HA ' HD12 ' A' ' 23' ' ' LEU . 20.7 m-20 -48.18 -19.27 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 24' ' ' GLN . 11.6 tt0 -86.95 -58.82 2.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -41.52 -31.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.1 mt -75.83 -36.04 59.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' GLU . 12.4 mt-30 -54.14 -24.19 16.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.66 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 36.3 m0 -72.09 -23.49 61.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.942 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.462 ' HG2' HG11 ' A' ' 135' ' ' VAL . 11.4 mtp-105 -74.23 -41.45 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -57.78 -56.24 24.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 t -135.17 137.52 42.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.797 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.474 HD21 HD11 ' A' ' 33' ' ' LEU . 7.4 tp -56.12 -40.17 73.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 31' ' ' LYS . 3.7 m-20 -43.3 -62.68 0.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.475 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 20.2 mmtt -37.28 -37.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.513 HD21 ' HB2' ' A' ' 42' ' ' PHE . 24.3 tp -73.22 -65.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.474 HD11 HD21 ' A' ' 29' ' ' LEU . 88.3 mt -47.37 -51.92 18.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -54.3 -42.84 70.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 31' ' ' LYS . 2.7 m-80 -70.0 124.72 24.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.535 ' ND2' HG21 ' A' ' 14' ' ' THR . 3.1 p-10 -57.33 -47.75 80.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -62.88 -53.89 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.14 -39.5 94.52 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.3 tp -62.73 -61.62 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.07 -51.29 4.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.034 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.9 m -66.49 -45.05 80.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.513 ' HB2' HD21 ' A' ' 32' ' ' LEU . 35.7 t80 -51.52 -41.53 61.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HG2' HD13 ' A' ' 55' ' ' LEU . 35.8 mtpt -60.8 -64.07 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.5 t -40.56 -41.89 1.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.826 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.436 ' CZ ' ' HG3' ' A' ' 49' ' ' GLU . 18.4 t80 -57.62 -46.69 83.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.631 HD22 ' O ' ' A' ' 51' ' ' SER . 63.4 mt -57.95 -50.29 73.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -43.72 -47.61 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -65.29 -41.29 94.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.436 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 8.3 mm-40 -80.92 -5.63 57.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 46' ' ' LEU . 15.1 m-85 62.53 36.83 13.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.631 ' O ' HD22 ' A' ' 46' ' ' LEU . 65.5 m -129.83 34.84 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.594 ' HA ' HD13 ' A' ' 46' ' ' LEU . 9.5 tt0 -75.94 -20.83 57.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.476 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 11.1 pm0 -60.13 -31.41 70.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.476 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 3.2 m-20 -60.84 -49.33 77.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.86 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.633 HD22 ' CD1' ' A' ' 59' ' ' ILE . 0.9 OUTLIER -66.48 -43.8 84.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -44.73 -58.09 3.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.561 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 20.8 t80 -48.79 -31.62 7.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 37.7 t90 -74.62 -62.84 1.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.633 ' CD1' HD22 ' A' ' 55' ' ' LEU . 54.5 mt -46.13 -42.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.88 -49.02 76.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.4 m -47.37 -54.61 10.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -56.62 -44.13 80.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.19 -15.41 59.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.549 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -90.84 -30.51 16.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -65.88 -32.12 73.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -82.21 17.48 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.56 HG22 ' HG3' ' A' ' 73' ' ' MET . 24.1 mt -94.03 118.29 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.21 -34.31 11.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -47.46 133.6 10.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -27.44 26.57 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.658 2.239 . . . . 0.0 112.399 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.09 -42.83 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.49 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 3.5 tptt -62.69 -51.61 66.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.56 ' HG3' HG22 ' A' ' 67' ' ' ILE . 9.4 mtp -44.56 -35.1 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.41 -62.28 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.42 -59.76 3.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 39.3 tptt -45.39 -46.27 13.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -47.4 -49.92 23.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.498 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 6.9 pttt -61.08 -39.7 90.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.498 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 19.0 mt-30 -53.27 -50.18 65.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.5 mt -61.29 -29.59 46.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.597 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -77.54 -46.1 23.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.1 mt-10 -66.02 -8.43 23.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.87 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 16.7 tt0 -104.38 -52.58 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.401 ' C ' ' H ' ' A' ' 86' ' ' GLN . 62.7 m-85 -101.74 -53.79 2.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.55 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.3 mm -78.99 26.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.656 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -104.81 148.13 26.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.973 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.493 HG22 ' HG3' ' A' ' 88' ' ' GLU . 21.0 m -55.13 123.94 15.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.493 ' HG3' HG22 ' A' ' 87' ' ' THR . 18.5 mt-10 48.08 33.73 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.87 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -53.39 163.25 1.01 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.523 0.678 . . . . 0.0 111.093 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.678 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.5 Cg_endo -69.66 -33.22 17.41 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.652 2.235 . . . . 0.0 112.411 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -121.89 17.82 10.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.587 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 19.3 tt0 -40.91 105.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.511 HG11 ' HB2' ' A' ' 57' ' ' PHE . 35.3 m -61.65 -176.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -98.7 98.54 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.405 HG12 HG23 ' A' ' 93' ' ' VAL . 1.4 pt -145.98 112.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -50.44 157.92 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -48.32 -34.41 10.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -51.72 -70.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 63.7 m -60.17 -50.09 75.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.149 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.53 -45.24 13.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.901 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.16 -45.57 92.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.402 ' HA ' ' HD2' ' A' ' 105' ' ' LYS . 40.9 mm -44.54 -63.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 106' ' ' ASN . 88.6 m -42.05 -55.15 3.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.5 mtp -42.82 -54.38 4.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' A' ' 102' ' ' ILE . 4.3 mttm -61.45 -24.21 66.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.847 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 103' ' ' THR . 92.5 m-20 -87.64 7.97 27.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.523 HD11 ' CD2' ' A' ' 81' ' ' TYR . 34.6 mt -93.68 -3.93 51.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.5 t -76.8 -58.07 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 10.0 mt-10 -123.33 51.23 3.67 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.561 0.696 . . . . 0.0 110.841 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.6 Cg_endo -69.79 134.74 28.66 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.729 2.286 . . . . 0.0 112.323 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.1 m -132.02 -66.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 112' ' ' LEU . 13.4 mt -135.03 -45.35 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 t -89.79 22.25 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.1 p -60.02 -38.4 82.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -114.24 47.05 1.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.98 -51.19 11.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.868 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 5.0 tpp -64.86 -58.93 4.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.561 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -49.76 -42.59 46.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -60.62 -57.85 10.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -27.43 68.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.453 ' CD ' ' C ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -66.68 -53.32 35.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 122' ' ' ILE . 8.2 mm -67.97 -45.2 84.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -53.31 -37.6 62.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.53 -20.53 62.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.63 -43.95 12.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.448 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 41.6 mtm -68.85 -10.34 56.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.644 ' O ' HD23 ' A' ' 131' ' ' LEU . 5.6 pt-20 -97.35 -23.99 15.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.815 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.419 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -111.44 -6.06 14.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -111.7 -66.46 1.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 133' ' ' ARG . 14.4 p -78.38 -57.41 3.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 127' ' ' GLU . 5.2 tp -34.2 -53.86 0.89 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.585 0.707 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.6 Cg_endo -69.77 -29.15 24.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.333 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 130' ' ' SER . 22.9 mmt180 -85.66 -13.75 47.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 130' ' ' SER . 14.0 t80 -85.22 -50.22 7.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.462 HG11 ' HG2' ' A' ' 26' ' ' ARG . 23.6 m -49.92 -26.54 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.058 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.8 mtp85 -74.99 -42.53 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 138' ' ' GLU . 13.8 p -60.31 133.12 55.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 139' ' ' PHE . 0.1 OUTLIER -36.01 -41.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.457 ' C ' ' O ' ' A' ' 138' ' ' GLU . 89.5 m-85 -33.74 -43.25 0.13 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.821 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.818 ' HA ' HD12 ' A' ' 143' ' ' LEU . 47.1 t80 -80.51 -44.72 18.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 145' ' ' SER . 93.2 mm-40 -49.09 -35.12 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -77.61 -25.49 49.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' A' ' 140' ' ' TYR . 41.6 mt -70.4 -33.91 71.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.562 HG22 ' HB3' ' A' ' 22' ' ' ALA . 31.7 pt -100.35 -40.76 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 8.6 t -69.89 -33.05 71.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -56.77 -166.01 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 88.86 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.303 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 47.9 p -173.62 135.25 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.5 t -156.8 174.9 14.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.424 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t 62.61 42.32 8.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.898 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -111.34 -48.31 3.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.897 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.55 171.92 13.95 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.422 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 p -160.87 167.69 26.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.903 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 7' ' ' GLY . 63.2 m -83.86 -53.22 5.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.821 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.32 67.77 0.35 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -15.1 36.78 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.617 2.211 . . . . 0.0 112.344 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -104.16 83.8 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -91.76 142.99 27.2 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 176.3 6.95 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.703 2.268 . . . . 0.0 112.34 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -174.02 117.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.053 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.77 144.6 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.8 t -150.95 171.2 17.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -123.87 179.27 4.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -47.3 171.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.831 HG21 ' CH2' ' A' ' 25' ' ' TRP . 85.4 m -104.06 133.13 49.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -87.97 158.71 18.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.568 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -58.34 -53.38 58.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.593 ' HA ' HD12 ' A' ' 23' ' ' LEU . 8.2 t70 -57.76 -12.02 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.506 ' OE1' HG23 ' A' ' 17' ' ' THR . 9.3 tt0 -88.63 -61.07 1.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.55 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -37.7 -35.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.089 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' A' ' 20' ' ' ASP . 3.4 mt -69.38 -41.24 76.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 21' ' ' GLU . 13.9 mt-30 -54.5 -22.92 14.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.831 ' CH2' HG21 ' A' ' 17' ' ' THR . 44.8 m0 -70.8 -23.03 62.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -76.65 -39.82 51.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -53.02 -58.58 6.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -134.99 132.86 38.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.809 HD21 ' SD ' ' A' ' 126' ' ' MET . 8.3 tp -49.42 -45.17 45.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' LYS . 16.3 m-20 -42.63 -62.44 0.99 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' HD3' ' HB3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -36.52 -47.97 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.884 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.577 HD13 ' HB3' ' A' ' 25' ' ' TRP . 26.6 tp -60.13 -61.43 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.956 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 52.3 mt -49.38 -50.36 40.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.007 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -48.82 -44.65 39.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -75.19 127.98 34.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -60.33 -51.25 70.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.815 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.19 -52.57 62.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.08 -40.6 99.14 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.448 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.0 tp -64.12 -62.67 1.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.42 -56.07 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.5 m -62.63 -42.55 99.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -53.57 -44.38 69.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -57.43 -64.88 0.74 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 t -37.79 -49.18 1.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.533 ' CD2' ' HB2' ' A' ' 134' ' ' PHE . 42.4 t80 -48.32 -44.85 34.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.811 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.731 HD23 ' HA ' ' A' ' 52' ' ' GLU . 9.4 mp -63.76 -51.85 63.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -41.11 -45.72 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 m -64.77 -41.28 95.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -79.83 -10.69 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 68.97 32.86 3.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 m -126.84 30.92 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.731 ' HA ' HD23 ' A' ' 46' ' ' LEU . 9.9 tt0 -72.26 -25.98 61.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 91' ' ' LYS . 3.7 pt-20 -54.57 -33.97 61.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.606 ' O ' HG21 ' A' ' 122' ' ' ILE . 3.0 m-20 -58.87 -46.57 87.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.523 HD22 ' CD1' ' A' ' 59' ' ' ILE . 0.9 OUTLIER -72.69 -46.12 55.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -40.68 -59.89 1.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -44.66 -39.08 4.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.417 ' CB ' ' HE1' ' A' ' 126' ' ' MET . 70.8 t90 -67.05 -64.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.523 ' CD1' HD22 ' A' ' 55' ' ' LEU . 39.2 mt -42.32 -42.63 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.74 -45.89 87.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.047 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 54.9 m -47.29 -57.79 4.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -55.82 -41.49 74.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -65.44 -20.8 66.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.809 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.526 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.2 t80 -86.89 -30.8 21.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -63.89 -31.88 73.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.417 ' HB3' ' NZ ' ' A' ' 66' ' ' LYS . 0.9 OUTLIER -83.63 23.62 0.94 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.839 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.558 HG22 ' HG3' ' A' ' 73' ' ' MET . 20.6 mt -101.18 113.19 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.419 ' HD3' ' C ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -93.51 -34.21 13.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.833 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 m -46.36 130.77 7.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.731 0.777 . . . . 0.0 110.811 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -20.86 33.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.274 . . . . 0.0 112.305 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -92.56 -41.02 10.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.512 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -67.0 -49.66 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.558 ' HG3' HG22 ' A' ' 67' ' ' ILE . 12.9 mtp -45.39 -37.48 5.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.67 -57.18 2.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 11.1 mm-40 -53.04 -57.54 10.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 18.3 tptm -48.94 -48.86 42.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.4 -46.05 9.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.498 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 3.6 pttp -63.96 -40.19 95.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.498 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 20.1 mt-30 -52.75 -51.98 58.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.3 mt -60.24 -30.11 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.645 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.5 OUTLIER -76.27 -45.09 34.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.492 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 6.6 mt-10 -67.44 -8.7 35.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.766 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 20.4 tt0 -105.05 -49.73 3.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.416 ' C ' ' H ' ' A' ' 86' ' ' GLN . 78.3 m-85 -103.57 -54.85 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.561 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -77.95 27.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.492 ' HB2' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -107.46 146.98 31.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.871 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 89' ' ' ALA . 67.4 m -50.97 134.2 26.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 37.1 32.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.766 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -49.88 162.33 0.48 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.593 0.711 . . . . 0.0 111.094 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.644 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.1 Cg_endo -69.82 -31.67 19.82 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.285 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 53' ' ' GLU . 8.8 mtpp -123.63 20.6 9.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 28.8 tt0 -42.18 103.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.463 HG23 HG12 ' A' ' 95' ' ' ILE . 30.0 m -62.98 165.44 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -80.65 96.9 7.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.669 HG23 HD11 ' A' ' 122' ' ' ILE . 3.4 pt -146.1 112.25 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -48.89 167.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -56.74 -34.64 67.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -52.14 -68.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.7 m -60.7 -47.5 86.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.481 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -48.22 -53.15 18.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -54.81 -49.15 71.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.1 mm -41.14 -67.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.201 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 97.8 m -39.44 -52.9 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.6 mtp -48.28 -57.3 6.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -59.2 -20.95 58.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -90.53 5.0 49.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.645 HD11 ' CD2' ' A' ' 81' ' ' TYR . 37.4 mt -89.29 -2.94 58.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.405 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 14.9 t -79.47 -57.8 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.105 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.522 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 11.0 mt-10 -121.73 49.71 2.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.728 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.78 124.16 10.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.624 2.216 . . . . 0.0 112.398 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.4 m -118.24 -70.63 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.7 mt -134.09 -44.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.8 m -87.16 20.2 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.7 m -49.06 -55.83 10.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.828 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.43 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 40.0 m-85 -99.87 39.11 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -64.32 -34.94 79.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 4.2 tpp -83.35 -67.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -43.99 -33.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 37.4 tt0 -66.8 -53.16 35.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -67.41 -29.01 68.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.98 -54.8 24.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.669 HD11 HG23 ' A' ' 95' ' ' ILE . 11.2 mm -65.34 -46.02 91.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.704 ' CE1' HD23 ' A' ' 29' ' ' LEU . 7.1 t-80 -55.59 -35.59 65.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.3 -23.87 61.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.47 -43.08 13.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.809 ' SD ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -69.89 -11.71 61.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.869 ' O ' HD23 ' A' ' 131' ' ' LEU . 5.4 pt-20 -96.34 -22.55 17.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.79 -6.85 14.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -109.39 -66.89 1.02 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.893 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 133' ' ' ARG . 22.8 p -80.04 -55.9 4.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.869 HD23 ' O ' ' A' ' 127' ' ' GLU . 4.1 tp -32.83 -54.25 0.6 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.624 0.726 . . . . 0.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.2 Cg_endo -69.86 -31.54 19.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.64 2.227 . . . . 0.0 112.345 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 130' ' ' SER . 15.5 mtt180 -84.25 -12.69 54.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.533 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 17.8 t80 -85.46 -35.95 20.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.444 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 33.8 m -70.25 -34.44 58.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.179 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -60.85 -44.9 96.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 87.2 p -61.9 166.42 4.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 139' ' ' PHE . 2.7 tt0 -64.65 -38.37 90.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 138' ' ' GLU . 92.4 m-85 -34.35 -39.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.638 ' HA ' HD12 ' A' ' 143' ' ' LEU . 66.2 t80 -88.11 -43.95 11.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 145' ' ' SER . 99.0 mm-40 -50.26 -32.2 16.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.19 -25.93 52.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 140' ' ' TYR . 34.3 mt -69.63 -37.24 76.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 145' ' ' SER . 35.1 pt -96.2 -41.17 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 11.9 t -68.29 -39.73 82.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -48.74 178.77 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 148' ' ' SER . 54.2 Cg_endo -69.7 -49.53 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.659 2.239 . . . . 0.0 112.41 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 147' ' ' PRO . 9.3 m 34.21 39.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.8 m -113.38 -43.62 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.544 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m -147.29 134.8 20.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.356 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -56.02 154.46 7.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.86 154.69 27.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.543 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -163.16 146.25 10.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.821 0.343 . . . . 0.0 110.917 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -54.53 -62.48 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.42 147.87 4.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.46 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.33 21.85 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.65 2.233 . . . . 0.0 112.368 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -171.44 119.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -140.68 141.58 25.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.523 0.678 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -172.27 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.235 . . . . 0.0 112.352 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.21 132.87 7.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.03 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -155.89 157.3 36.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -124.67 171.32 10.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -167.79 179.31 4.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.934 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -93.92 176.1 6.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.578 HG21 ' CH2' ' A' ' 25' ' ' TRP . 43.1 m -112.99 139.25 48.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -102.55 161.55 13.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.81 -57.82 10.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.712 ' HA ' HD12 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -56.64 -12.26 1.74 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 24' ' ' GLN . 12.4 tt0 -89.81 -59.23 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.437 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -40.92 -32.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.2 mt -71.99 -38.6 69.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' GLU . 62.2 mt-30 -54.47 -23.66 17.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.578 ' CH2' HG21 ' A' ' 17' ' ' THR . 50.5 m0 -71.09 -23.38 62.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -71.92 -38.84 69.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -56.32 -59.85 4.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -135.15 126.41 28.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.817 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 tp -48.21 -39.38 20.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -44.97 -53.28 7.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -47.98 -37.53 14.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.3 tp -67.64 -64.46 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.466 HD13 ' CE3' ' A' ' 58' ' ' TRP . 58.4 mt -48.96 -44.83 41.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -53.8 -45.05 70.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -72.85 127.24 31.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -56.32 -53.26 59.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -55.39 -56.19 23.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.77 -41.77 94.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.52 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.1 tp -62.95 -61.3 2.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.845 0.355 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.78 -48.76 10.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.073 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.2 m -68.98 -43.22 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -53.84 -42.92 69.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.524 ' HG2' HD13 ' A' ' 55' ' ' LEU . 36.7 mtpt -58.1 -63.58 1.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 t -40.47 -45.32 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.432 ' CD2' ' HB2' ' A' ' 134' ' ' PHE . 26.2 t80 -52.07 -40.8 61.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.781 HD23 ' HA ' ' A' ' 52' ' ' GLU . 9.0 mp -71.97 -53.44 13.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.438 ' HG3' ' CD ' ' A' ' 52' ' ' GLU . 39.8 mtpt -41.26 -41.97 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.3 p -69.77 -36.46 75.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.83 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' OE2' ' NH1' ' A' ' 133' ' ' ARG . 5.6 mm-40 -85.18 -9.98 57.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 69.09 32.11 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.4 m -126.42 30.94 5.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.785 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.781 ' HA ' HD23 ' A' ' 46' ' ' LEU . 13.1 tt0 -73.76 -22.48 59.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 5.6 pm0 -52.5 -33.57 45.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.466 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 5.2 m-20 -60.37 -44.13 95.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.69 HD22 HD11 ' A' ' 59' ' ' ILE . 1.2 tt -72.36 -46.25 56.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -42.38 -57.57 2.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.574 ' CZ ' HD11 ' A' ' 85' ' ' ILE . 29.9 t80 -49.01 -37.24 19.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.466 ' CE3' HD13 ' A' ' 33' ' ' LEU . 43.2 t90 -67.21 -60.07 2.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.69 HD11 HD22 ' A' ' 55' ' ' LEU . 31.3 mt -48.77 -45.13 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.55 88.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 65.7 m -46.98 -56.48 6.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -58.07 -36.84 73.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -69.79 -16.05 63.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.483 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 2.3 t80 -91.79 -30.74 16.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -63.85 -31.02 72.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -82.84 18.2 1.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.561 HG22 ' HG3' ' A' ' 73' ' ' MET . 28.2 mt -97.9 103.79 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.135 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' SD ' ' A' ' 73' ' ' MET . 0.0 OUTLIER -84.79 -39.34 18.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -41.48 136.55 1.85 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.678 0.751 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -29.54 23.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.621 2.214 . . . . 0.0 112.37 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.67 -59.55 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.463 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -46.86 -46.13 20.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.561 ' HG3' HG22 ' A' ' 67' ' ' ILE . 11.5 mtp -50.18 -38.11 38.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.35 -57.39 2.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -53.27 -56.84 13.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -48.05 -47.87 33.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.98 -46.23 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.482 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 2.3 pttp -67.25 -38.33 84.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.963 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.482 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 26.1 mt-30 -54.55 -50.41 68.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.5 mt -64.39 -29.38 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.741 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.4 OUTLIER -75.14 -45.77 38.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.535 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 14.6 mt-10 -65.07 -8.28 15.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.79 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 12.8 tt0 -106.16 -52.48 2.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -101.88 -54.75 2.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.69 HG22 ' HE2' ' A' ' 100' ' ' LYS . 1.2 mm -78.97 29.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.648 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.76 148.6 27.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.981 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.451 HG22 ' HG2' ' A' ' 88' ' ' GLU . 23.2 m -58.26 120.93 9.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.451 ' HG2' HG22 ' A' ' 87' ' ' THR . 25.2 mm-40 53.15 27.68 6.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.79 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -49.88 164.46 0.36 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.704 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.7 Cg_endo -69.79 -33.97 15.41 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.339 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -121.89 16.78 10.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.725 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 28.5 tt0 -42.58 103.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.4 m -57.8 176.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -91.75 98.02 11.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.536 HG23 HD11 ' A' ' 122' ' ' ILE . 2.0 pt -142.18 111.59 2.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -47.59 161.39 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -50.71 -38.45 47.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.403 ' O ' HG12 ' A' ' 102' ' ' ILE . 22.6 t80 -48.63 -68.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.9 m -61.95 -53.29 57.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.69 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -43.79 -46.16 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.66 -45.19 93.98 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 98' ' ' PHE . 14.5 mm -44.91 -64.37 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.8 m -40.11 -52.84 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.6 mtp -46.97 -56.65 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.436 ' O ' HG12 ' A' ' 108' ' ' VAL . 15.4 mtpt -60.71 -16.31 38.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -95.29 -0.25 53.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.741 HD11 ' CD2' ' A' ' 81' ' ' TYR . 87.6 mt -89.25 1.47 55.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.45 HG13 ' N ' ' A' ' 109' ' ' GLU . 7.2 p -88.22 -42.92 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 6.1 mm-40 -132.76 45.0 1.47 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.673 0.749 . . . . 0.0 110.841 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.8 Cg_endo -69.69 137.55 35.92 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.409 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 m -133.72 -68.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.949 0.405 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.7 mt -133.67 -43.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.4 m -89.11 22.62 2.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.2 m -50.13 -56.64 10.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -98.08 34.65 1.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -61.39 -34.48 75.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.411 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 3.9 tpp -86.09 -59.69 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.493 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -48.86 -36.44 17.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -66.64 -53.94 28.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 117' ' ' MET . 18.4 pttt -64.77 -30.34 71.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.447 ' CD ' ' C ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -64.99 -59.06 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.803 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.536 HD11 HG23 ' A' ' 95' ' ' ILE . 8.0 mm -60.43 -40.62 84.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -57.12 -38.31 73.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.85 -20.47 63.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 129' ' ' ASP . 0.5 OUTLIER -85.52 -45.89 11.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.429 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 46.0 mtm -67.83 -10.97 57.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.605 ' O ' HD23 ' A' ' 131' ' ' LEU . 8.7 pt-20 -97.91 -25.75 14.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.431 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -112.29 -1.32 15.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 125' ' ' LEU . 37.3 t0 -116.43 -65.92 1.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 134' ' ' PHE . 5.1 p -79.99 -52.45 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.646 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.8 tp -39.72 -51.92 5.09 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.606 0.717 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.646 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.5 Cg_endo -69.71 -22.33 32.44 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.635 2.223 . . . . 0.0 112.424 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.452 ' NH1' ' OE2' ' A' ' 49' ' ' GLU . 6.9 mtp-105 -96.07 -13.27 23.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 130' ' ' SER . 25.5 t80 -85.98 -38.15 18.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.415 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 28.8 m -62.51 -38.51 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 23.7 mtm105 -65.1 -40.82 95.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 49.7 p -62.27 136.35 57.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.511 ' OE1' ' N ' ' A' ' 138' ' ' GLU . 0.2 OUTLIER -38.72 -41.0 0.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 138' ' ' GLU . 96.2 m-85 -34.57 -40.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.825 ' HA ' HD12 ' A' ' 143' ' ' LEU . 44.6 t80 -87.7 -45.61 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 145' ' ' SER . 74.2 mm-40 -48.43 -34.06 10.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -76.85 -27.0 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.825 HD12 ' HA ' ' A' ' 140' ' ' TYR . 31.5 mt -68.19 -35.0 77.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 145' ' ' SER . 26.6 pt -99.21 -40.49 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.048 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 17.6 t -68.35 -32.42 72.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -53.16 -173.8 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.478 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 89.19 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.346 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 52.4 p -174.69 139.02 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 46.2 p -166.0 152.68 9.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.786 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.482 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.7 p -119.62 146.51 45.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.92 0.39 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 p -86.12 161.59 18.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.17 100.91 0.97 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.441 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -138.07 159.02 43.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -123.51 160.21 27.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.91 120.76 2.77 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.455 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -176.66 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.618 2.212 . . . . 0.0 112.319 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -129.37 145.85 51.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -109.37 139.72 21.36 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.527 0.68 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 116.8 4.72 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.679 2.253 . . . . 0.0 112.357 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -130.92 178.78 6.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -166.74 134.14 2.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.7 p -84.9 -176.51 6.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.41 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 18.6 pm0 -123.67 -22.06 5.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 7.0 mtpm? -159.76 177.74 10.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.933 HG21 ' CH2' ' A' ' 25' ' ' TRP . 98.0 m -125.01 126.96 46.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.053 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -73.08 156.53 38.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.46 ' C ' HD13 ' A' ' 19' ' ' LEU . 1.3 tm? -60.39 -56.83 16.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.608 ' HA ' HD12 ' A' ' 23' ' ' LEU . 1.1 m-20 -54.66 -15.29 1.72 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' GLN . 8.5 tt0 -87.75 -56.78 3.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.575 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -42.06 -31.48 0.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.7 mt -75.5 -37.65 60.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' GLU . 27.3 mt-30 -55.2 -18.29 5.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.973 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.933 ' CH2' HG21 ' A' ' 17' ' ' THR . 34.8 m0 -71.27 -23.27 61.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -71.5 -49.41 41.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -47.91 -57.4 5.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m -134.89 133.48 39.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.426 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 6.4 tp -52.59 -46.83 67.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 31' ' ' LYS . 7.9 t70 -37.19 -64.49 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' C ' ' HG2' ' A' ' 34' ' ' GLN . 14.8 mmtm -35.54 -38.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.494 ' HA ' ' CD1' ' A' ' 25' ' ' TRP . 28.4 tp -69.48 -61.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.977 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.402 HD11 HD21 ' A' ' 29' ' ' LEU . 24.4 mt -51.96 -53.27 43.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.484 ' HG2' ' C ' ' A' ' 31' ' ' LYS . 12.5 pt20 -46.38 -38.22 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.482 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 6.2 m120 -85.66 121.89 28.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.68 -51.22 61.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -50.88 -60.67 2.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.72 -42.86 91.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.486 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.0 tp -59.71 -63.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.845 0.355 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.7 -51.96 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.2 m -67.16 -42.91 83.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.809 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -53.62 -39.78 65.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.594 ' HG2' HD13 ' A' ' 55' ' ' LEU . 35.3 mtpt -63.97 -63.44 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 t -39.63 -42.96 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -54.97 -56.21 22.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.432 ' HB3' ' C ' ' A' ' 51' ' ' SER . 82.1 mt -53.93 -48.09 70.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -50.04 -48.06 53.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m -67.67 -12.26 60.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -112.37 0.46 15.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 61.93 34.42 16.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.432 ' C ' ' HB3' ' A' ' 46' ' ' LEU . 19.2 m -131.28 34.37 4.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.782 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -80.43 -10.08 59.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.472 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 11.3 pm0 -66.99 -36.09 81.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.472 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 8.6 m-20 -56.33 -47.73 78.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.775 HD22 ' CD1' ' A' ' 59' ' ' ILE . 1.2 tt -67.86 -42.14 81.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -48.51 -52.15 23.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.576 ' CZ ' HD11 ' A' ' 85' ' ' ILE . 17.9 t80 -54.29 -33.42 58.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -72.62 -58.61 3.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.775 ' CD1' HD22 ' A' ' 55' ' ' LEU . 40.2 mt -48.81 -46.06 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.8 88.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.06 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 88.5 m -48.14 -62.86 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -48.81 -41.87 34.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -65.08 -23.83 67.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.567 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -85.5 -27.0 25.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.832 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -69.88 -29.14 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -83.01 10.5 7.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.627 HG22 ' HG3' ' A' ' 73' ' ' MET . 20.1 mt -90.86 127.6 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -108.29 -31.88 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.775 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 m -48.65 133.9 13.78 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -20.56 34.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.03 -41.34 10.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.477 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 5.3 tptt -67.66 -49.96 60.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.627 ' HG3' HG22 ' A' ' 67' ' ' ILE . 9.4 mtp -47.82 -33.34 7.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.472 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.71 -60.48 1.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -52.41 -59.2 4.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.811 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 40.4 tptt -46.14 -39.83 10.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -54.23 -51.17 65.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -30.49 71.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -62.75 -49.07 76.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.0 mt -64.48 -29.41 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.611 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -78.13 -44.0 27.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.494 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 13.5 mm-40 -66.63 -8.24 25.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.833 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 12.5 tt0 -106.66 -52.64 2.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -100.01 -54.0 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.674 HG22 ' HE2' ' A' ' 100' ' ' LYS . 1.2 mm -80.16 27.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.672 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.1 OUTLIER -106.25 149.14 27.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.455 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 29.4 m -55.73 129.37 39.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 42.08 35.94 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.833 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -55.38 163.89 1.63 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 111.053 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.704 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 54.4 Cg_endo -69.69 -34.23 15.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.766 2.311 . . . . 0.0 112.319 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -121.28 22.41 10.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -39.76 129.12 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 57' ' ' PHE . 34.9 m -88.98 175.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -92.5 98.1 11.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -142.17 111.96 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.16 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 97' ' ' HIS . 35.8 t70 -51.62 146.23 7.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 96' ' ' ASP . 38.8 m80 -34.12 -41.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.797 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -47.21 -65.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.6 m -64.54 -56.61 12.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.674 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -43.59 -28.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -82.1 -41.77 20.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.8 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.5 mm -50.46 -55.65 5.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.6 m -48.13 -47.25 34.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.6 mtp -51.03 -55.02 19.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp -63.47 -21.21 66.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -90.1 4.98 48.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.595 HD11 ' CD2' ' A' ' 81' ' ' TYR . 18.9 mt -91.01 -3.34 57.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.467 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 13.3 t -78.93 -60.98 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.512 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 5.2 mm-40 -117.93 49.96 1.04 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.6 Cg_endo -69.75 131.24 20.83 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.407 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.6 t -129.44 -68.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 112' ' ' LEU . 12.2 mt -133.05 -44.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.1 m -90.84 22.81 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.402 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 2.2 p -61.3 -38.6 87.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.87 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -111.37 40.29 2.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -73.1 -46.25 52.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 4.2 tpp -68.86 -62.35 1.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.551 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -48.16 -44.95 32.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -58.52 -58.52 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -29.0 69.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.427 ' CD ' ' C ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -67.01 -52.01 47.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 122' ' ' ILE . 7.3 mm -70.57 -40.95 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -56.41 -35.36 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.5 -20.06 60.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.6 OUTLIER -83.58 -44.87 14.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.977 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.432 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 27.8 mtm -72.46 -10.03 59.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.825 ' O ' HD23 ' A' ' 131' ' ' LEU . 6.0 pt-20 -97.38 -27.06 14.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.46 -3.4 15.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 33.2 t0 -114.07 -66.25 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 133' ' ' ARG . 15.2 m -78.43 -55.58 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.825 HD23 ' O ' ' A' ' 127' ' ' GLU . 4.1 tp -35.33 -53.93 1.2 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.572 0.701 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 54.0 Cg_endo -69.75 -26.92 27.14 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 130' ' ' SER . 80.7 mtm180 -89.4 -12.76 39.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 130' ' ' SER . 12.9 t80 -87.37 -35.99 18.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.527 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 17.7 m -62.5 -40.29 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.1 mtm105 -64.17 -28.0 69.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.1 p -73.65 138.23 44.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 140' ' ' TYR . 1.2 mt-10 -39.32 -51.58 2.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.491 ' C ' ' O ' ' A' ' 138' ' ' GLU . 55.9 m-85 -30.18 -39.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.624 ' HA ' HD12 ' A' ' 143' ' ' LEU . 63.2 t80 -87.27 -53.2 4.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.678 ' HA ' HD11 ' A' ' 144' ' ' ILE . 66.4 mm-40 -43.81 -32.64 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 6.4 pt-20 -75.98 -31.66 59.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.688 HD13 ' HZ3' ' A' ' 25' ' ' TRP . 73.8 mt -56.39 -31.53 63.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.841 HD13 ' H ' ' A' ' 144' ' ' ILE . 0.2 OUTLIER -109.88 -36.12 2.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 40.6 t -62.35 -31.73 72.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -57.24 179.42 0.78 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 108.46 2.08 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.676 2.251 . . . . 0.0 112.376 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.5 t -155.74 179.81 8.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 71.6 m -118.18 154.56 31.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -165.59 149.88 8.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.896 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -167.12 175.72 7.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.8 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.71 167.61 36.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -167.62 178.34 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.368 . . . . 0.0 110.907 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 m -162.48 178.6 8.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.17 131.15 2.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.439 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -171.16 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.652 2.235 . . . . 0.0 112.291 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -127.73 177.24 6.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -129.14 152.59 79.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.534 0.683 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -171.17 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.62 2.213 . . . . 0.0 112.379 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.3 179.99 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -117.13 179.81 3.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.8 p -113.39 176.8 4.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -132.02 155.57 47.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -140.61 169.69 17.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.571 HG21 ' CH2' ' A' ' 25' ' ' TRP . 97.1 m -153.56 142.28 20.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -94.9 152.46 18.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.468 HD21 ' HB ' ' A' ' 144' ' ' ILE . 0.9 OUTLIER -50.84 -58.83 4.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.693 ' HA ' HD12 ' A' ' 23' ' ' LEU . 5.4 m-20 -54.24 -18.19 3.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 24' ' ' GLN . 8.9 tt0 -84.08 -58.61 2.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.426 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -41.19 -31.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.9 mt -74.94 -38.15 61.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 21' ' ' GLU . 11.2 mt-30 -56.29 -15.63 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.803 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 44.8 m0 -74.52 -22.64 58.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 13.6 mtp-105 -72.07 -34.63 68.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -61.26 -56.01 25.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.2 m -135.04 128.74 32.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.409 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 6.1 tp -51.75 -39.27 58.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -45.87 -55.69 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.467 ' C ' ' HG2' ' A' ' 34' ' ' GLN . 14.6 mttm -45.89 -33.41 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.8 tp -71.97 -58.25 3.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.5 mt -53.81 -53.12 56.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.484 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 13.4 pt20 -45.18 -40.0 6.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.964 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.484 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 3.2 t-20 -80.98 116.33 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -48.36 -47.95 36.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.429 ' CE2' ' CD2' ' A' ' 143' ' ' LEU . 2.2 t80 -55.68 -60.96 2.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.93 -42.46 80.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.429 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.5 tp -59.13 -63.45 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.981 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -40.93 -53.78 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 m -65.78 -37.97 87.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.412 ' O ' HD13 ' A' ' 46' ' ' LEU . 37.1 t80 -58.75 -36.98 75.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.832 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.518 ' HG2' HD13 ' A' ' 55' ' ' LEU . 34.9 mtpt -66.04 -65.54 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.0 t -41.94 -41.04 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.49 ' CZ ' ' O ' ' A' ' 133' ' ' ARG . 33.7 t80 -55.72 -40.09 71.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 52' ' ' GLU . 5.6 mp -74.17 -49.77 22.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -41.39 -38.73 1.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -69.31 -34.76 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.772 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.548 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 4.0 mm-40 -94.93 14.0 23.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 2.7 p90 47.23 31.35 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.6 m -119.59 27.6 8.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.485 ' HA ' HD23 ' A' ' 46' ' ' LEU . 3.6 tt0 -74.88 -26.75 59.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -49.47 -37.16 25.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.434 ' HA ' HG12 ' A' ' 93' ' ' VAL . 10.0 m-20 -55.12 -46.69 75.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.646 HD22 ' CD1' ' A' ' 59' ' ' ILE . 0.5 OUTLIER -67.71 -49.54 62.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -41.14 -49.74 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.55 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 23.5 t80 -54.5 -34.78 62.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.427 ' N ' ' O ' ' A' ' 55' ' ' LEU . 52.1 t90 -72.37 -63.68 1.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.646 ' CD1' HD22 ' A' ' 55' ' ' LEU . 36.0 mt -44.71 -42.39 2.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.041 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.25 -52.72 60.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 75.2 m -40.55 -56.87 1.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.94 -39.02 68.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -67.53 -19.91 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.498 ' HE2' ' HB2' ' A' ' 77' ' ' ALA . 3.3 t80 -86.79 -28.32 23.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -69.28 -33.38 73.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -75.31 3.4 9.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 10.0 mt -89.67 113.81 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -96.45 -29.85 13.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.445 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 1.3 t -46.74 138.52 6.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.567 0.698 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -32.93 17.7 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.67 2.246 . . . . 0.0 112.383 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.36 -54.73 4.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.475 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -51.91 -53.69 38.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.0 mtp -45.05 -32.26 1.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.76 -63.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.16 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -50.83 -56.43 12.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.804 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.405 ' HG2' ' CD1' ' A' ' 67' ' ' ILE . 20.0 tptm -49.35 -42.69 42.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.498 ' HB2' ' HE2' ' A' ' 64' ' ' TYR . . . -52.95 -40.76 63.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.073 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.501 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 12.3 pttt -68.63 -37.08 79.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.501 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 20.1 mt-30 -55.09 -56.24 22.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 34.8 mt -58.05 -22.72 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.777 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.4 OUTLIER -83.85 -42.74 16.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.474 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 15.2 mt-10 -69.95 -9.75 56.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.957 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.803 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 12.1 tt0 -103.95 -46.72 4.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.434 ' C ' ' H ' ' A' ' 86' ' ' GLN . 79.9 m-85 -106.18 -55.65 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.561 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.4 mm -76.98 26.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.177 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.474 ' HB2' ' HA ' ' A' ' 82' ' ' GLU . 0.3 OUTLIER -106.3 142.37 36.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.472 HG22 ' HG3' ' A' ' 88' ' ' GLU . 96.9 m -50.03 129.64 20.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.472 ' HG3' HG22 ' A' ' 87' ' ' THR . 13.7 mt-10 47.37 30.54 1.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.812 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.803 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -51.32 158.67 1.3 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.52 0.676 . . . . 0.0 111.105 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.531 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.8 Cg_endo -69.75 -29.68 23.51 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.613 2.209 . . . . 0.0 112.354 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -122.58 16.87 10.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.559 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 35.1 tt0 -39.6 103.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.434 HG12 ' HA ' ' A' ' 54' ' ' ASN . 26.4 m -61.71 179.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.156 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -93.91 97.61 10.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.443 HG23 HD11 ' A' ' 122' ' ' ILE . 1.6 pt -146.58 113.09 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -50.87 156.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -45.99 -37.04 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -50.73 -69.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.3 m -60.17 -48.96 79.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.536 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -47.04 -50.62 19.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -56.21 -46.37 79.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.4 mm -43.35 -64.03 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 93.2 m -42.83 -49.35 5.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mtp -50.36 -55.12 17.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -62.86 -19.91 64.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -92.35 4.89 52.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.777 HD11 ' CD2' ' A' ' 81' ' ' TYR . 25.2 mt -90.06 -3.16 58.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.404 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 17.2 t -76.92 -60.85 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.507 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 1.4 pt-20 -120.95 50.8 2.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.73 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.4 Cg_endo -69.61 134.23 27.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.5 m -128.19 -70.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.5 mt -131.69 -44.33 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.959 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.8 p -85.69 20.73 2.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.7 m -48.29 -61.0 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -97.57 34.07 1.91 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -58.68 -35.44 72.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 8.0 tpp -84.65 -55.1 4.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.55 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -53.66 -41.24 66.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.08 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -61.21 -54.1 48.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -65.93 -30.56 71.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.494 ' CD ' ' C ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -64.42 -52.11 59.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.443 HD11 HG23 ' A' ' 95' ' ' ILE . 7.3 mm -67.77 -42.89 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -56.41 -39.78 73.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 127' ' ' GLU . . . -67.58 -19.79 65.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.042 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.91 -54.42 4.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 32.5 mtm -60.67 -9.93 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.73 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.8 pt-20 -99.36 -22.62 15.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -110.27 -7.21 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 133' ' ' ARG . 5.7 m-20 -118.85 -66.01 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 134' ' ' PHE . 48.9 m -71.27 -50.34 33.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 127' ' ' GLU . 3.5 tp -45.4 -55.42 11.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.584 0.706 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.0 Cg_endo -69.8 -23.14 30.96 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.49 ' O ' ' CZ ' ' A' ' 45' ' ' PHE . 14.7 mmp_? -91.91 -13.8 30.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 130' ' ' SER . 9.1 t80 -85.35 -37.88 19.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.434 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 34.4 m -65.19 -16.18 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -79.31 -39.37 33.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 138' ' ' GLU . 23.4 p -69.51 133.5 47.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.788 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 139' ' ' PHE . 1.1 pm0 -34.96 -41.97 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.47 ' C ' ' O ' ' A' ' 138' ' ' GLU . 84.3 m-85 -32.35 -43.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.551 ' O ' HD13 ' A' ' 144' ' ' ILE . 60.0 t80 -84.12 -53.18 5.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.955 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.689 ' HA ' HD11 ' A' ' 144' ' ' ILE . 82.2 mm-40 -41.38 -34.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 139' ' ' PHE . 9.3 pt-20 -74.58 -34.88 62.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.803 HD13 ' HZ3' ' A' ' 25' ' ' TRP . 75.3 mt -53.11 -35.08 59.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.838 HD13 ' H ' ' A' ' 144' ' ' ILE . 0.2 OUTLIER -105.91 -33.93 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.086 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 48.5 t -67.49 -64.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 145' ' ' SER . . . 33.82 -147.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 148' ' ' SER . 53.6 Cg_endo -69.79 -179.02 2.63 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.299 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 147' ' ' PRO . 66.6 m -34.43 124.98 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.4 t -171.34 130.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.783 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -115.69 142.93 46.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.933 0.397 . . . . 0.0 110.771 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 p -66.07 -46.4 77.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.86 118.84 2.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -68.56 -56.42 8.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.895 0.379 . . . . 0.0 110.882 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -85.2 171.94 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.35 125.83 1.74 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.457 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -47.31 0.93 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.709 2.273 . . . . 0.0 112.304 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -158.99 163.4 36.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -174.41 131.41 0.49 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.614 0.721 . . . . 0.0 110.87 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 0.58 5.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.32 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.09 -46.78 82.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -46.19 -67.88 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 p -152.81 -176.31 5.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.176 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -131.54 -179.55 5.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -116.5 174.79 5.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.588 HG21 ' CH2' ' A' ' 25' ' ' TRP . 87.5 m -121.83 142.97 49.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -103.62 143.95 32.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.426 ' CD1' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -45.53 -62.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.553 ' HA ' HD12 ' A' ' 23' ' ' LEU . 77.7 m-20 -47.65 -19.62 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 24' ' ' GLN . 3.3 tp10 -88.99 -56.59 3.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.435 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -42.31 -31.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.5 mt -76.15 -36.05 58.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 21' ' ' GLU . 16.6 mt-30 -54.56 -22.0 11.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.588 ' CH2' HG21 ' A' ' 17' ' ' THR . 38.3 m0 -71.06 -23.44 62.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.409 ' HA ' HD11 ' A' ' 131' ' ' LEU . 15.0 mtp-105 -70.08 -43.87 70.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -56.49 -62.0 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 t -129.09 126.96 40.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 4.9 tp -50.32 -37.11 35.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -45.15 -55.96 5.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HA ' ' HG2' ' A' ' 34' ' ' GLN . 15.4 mmtt -44.84 -27.14 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 17.0 tp -79.9 -48.71 13.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.7 mt -63.93 -41.24 97.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.401 ' HG2' ' HA ' ' A' ' 31' ' ' LYS . 1.4 pp0? -63.93 -36.58 84.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.472 ' O ' ' C ' ' A' ' 36' ' ' ASN . 3.3 t-20 -78.37 97.8 5.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.472 ' C ' ' O ' ' A' ' 35' ' ' ASN . 13.6 p-10 -32.62 -54.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.38 -51.74 63.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.57 -49.08 82.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.8 tp -55.08 -61.23 2.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.21 -59.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.095 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -59.25 -44.4 92.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -51.44 -43.47 62.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.69 ' HG2' HD13 ' A' ' 55' ' ' LEU . 36.8 mtpt -59.38 -62.94 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 t -41.26 -46.72 3.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -51.17 -41.15 59.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.792 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 49' ' ' GLU . 89.3 mt -67.53 -54.62 18.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.426 ' HG3' ' CD ' ' A' ' 52' ' ' GLU . 15.1 mtpp -39.87 -34.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.0 t -79.11 -36.39 40.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.543 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 5.1 mm-40 -91.21 17.54 8.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 27.9 p90 45.65 31.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.7 m -120.5 27.77 8.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.426 ' CD ' ' HG3' ' A' ' 47' ' ' LYS . 7.0 tt0 -71.84 -24.09 61.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 91' ' ' LYS . 4.3 pt-20 -60.93 -31.15 70.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -59.1 -52.44 65.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.69 HD13 ' HG2' ' A' ' 43' ' ' LYS . 1.3 tt -66.08 -43.9 86.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -45.54 -55.77 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.468 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 25.5 t80 -50.22 -34.97 24.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 59.9 t90 -69.3 -61.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.662 HD11 HD22 ' A' ' 55' ' ' LEU . 22.7 mt -46.46 -45.01 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.33 -51.05 69.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 44.4 m -43.92 -52.84 6.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.85 -44.23 97.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.05 -20.2 65.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.556 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -85.25 -34.73 21.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -63.78 -32.13 73.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -83.58 19.89 1.51 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.486 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 42.3 mt -93.95 114.65 31.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.21 -21.6 19.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 m -60.63 133.37 91.55 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.682 0.753 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -34.57 14.45 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -82.54 -36.95 25.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.486 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -67.96 -48.24 66.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.439 ' HG3' HG22 ' A' ' 67' ' ' ILE . 8.2 mtp -47.5 -37.66 12.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -89.87 -58.25 2.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 4.8 mm-40 -51.09 -59.52 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 31.9 tptt -47.98 -43.85 29.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -48.16 -51.8 23.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.048 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.491 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 8.1 ptmt -60.04 -39.73 86.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.491 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 10.7 mt-30 -52.89 -57.6 9.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.9 mt -55.05 -26.9 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.604 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -79.2 -45.71 19.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.505 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.6 mt-10 -66.15 -8.66 25.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.883 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 14.3 tt0 -105.45 -52.15 2.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -100.82 -54.2 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.558 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.61 28.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.714 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -106.92 151.15 25.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.521 HG22 ' HG3' ' A' ' 88' ' ' GLU . 19.5 m -62.95 125.97 25.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.521 ' HG3' HG22 ' A' ' 87' ' ' THR . 16.9 mt-10 52.94 27.98 6.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.883 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -53.82 159.37 2.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.571 0.7 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.546 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 54.6 Cg_endo -69.71 -28.82 25.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.609 2.206 . . . . 0.0 112.43 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 53' ' ' GLU . 8.1 mtpp -123.63 17.65 9.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 38.9 tt0 -41.26 96.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.481 HG23 HG12 ' A' ' 95' ' ' ILE . 35.1 m -55.23 178.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -94.35 98.83 11.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.481 HG12 HG23 ' A' ' 93' ' ' VAL . 1.5 pt -146.52 113.25 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.154 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -53.01 154.64 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.803 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -44.4 -34.78 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.804 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -50.77 -70.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 63.4 m -62.83 -43.73 98.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.178 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.05 -49.58 40.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.22 -45.19 91.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.3 mm -43.6 -64.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 94.4 m -42.14 -51.95 4.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.3 mtp -47.82 -55.38 9.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -61.9 -21.68 64.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -91.08 7.04 42.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.545 HD11 ' CD2' ' A' ' 81' ' ' TYR . 40.9 mt -92.3 -2.69 56.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.967 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.409 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 14.5 t -78.37 -59.18 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 2.8 mm-40 -121.18 50.14 1.98 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.7 Cg_endo -69.74 133.03 24.62 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.1 m -127.65 -69.17 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.8 mt -133.08 -44.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 92.0 p -88.2 21.64 2.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.793 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.4 p -57.17 -40.16 76.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.408 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 98.5 m-85 -111.99 43.23 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -49.24 35.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 7.0 tpp -69.02 -56.64 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.468 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -52.36 -46.55 66.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.408 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 39.0 tt0 -57.21 -56.62 19.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -63.72 -29.62 70.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.407 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -64.38 -51.44 63.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 122' ' ' ILE . 10.9 mm -71.04 -43.12 76.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -54.93 -36.84 65.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' ' 127' ' ' GLU . . . -72.19 -23.83 61.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.086 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.17 -40.41 27.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 37.6 mtm -74.29 -10.94 60.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.529 ' O ' HD23 ' A' ' 131' ' ' LEU . 3.8 pt-20 -99.86 -21.84 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 132' ' ' PRO . 8.5 ptmt -109.74 -9.31 14.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -115.81 -65.09 1.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 134' ' ' PHE . 44.8 m -71.87 -57.41 4.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.569 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.8 tp -37.75 -55.95 1.96 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.595 0.712 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.2 Cg_endo -69.87 -21.05 33.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.294 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 130' ' ' SER . 60.7 mtt180 -94.31 -12.93 27.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 130' ' ' SER . 23.4 t80 -88.59 -29.5 19.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.519 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 30.5 m -68.13 -34.03 64.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -75.85 -27.57 57.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 138' ' ' GLU . 28.4 p -73.11 138.17 45.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 140' ' ' TYR . 0.8 OUTLIER -37.06 -52.8 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.504 ' C ' ' O ' ' A' ' 138' ' ' GLU . 63.8 m-85 -29.07 -40.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.712 ' HA ' HD12 ' A' ' 143' ' ' LEU . 53.3 t80 -83.49 -48.47 10.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 138' ' ' GLU . 76.3 mm-40 -48.15 -32.25 6.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -79.11 -25.18 43.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' A' ' 140' ' ' TYR . 33.2 mt -73.98 -32.86 63.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.674 HD13 ' HE1' ' A' ' 140' ' ' TYR . 29.7 pt -104.6 -43.5 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.492 ' N ' HG13 ' A' ' 144' ' ' ILE . 1.5 m -103.75 40.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -59.36 -143.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 -1.4 8.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.319 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 32.7 t -115.64 157.25 24.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 74.3 m -87.09 172.87 9.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t -128.77 137.7 51.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.84 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 t -122.3 107.96 12.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.91 -178.93 32.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 m -117.2 117.72 30.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.91 0.386 . . . . 0.0 110.813 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.4 t -111.18 107.91 17.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.59 -81.3 0.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 160.25 50.42 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.601 2.201 . . . . 0.0 112.338 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -82.6 169.45 16.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -48.44 158.31 0.62 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.576 0.703 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 85.56 0.61 Allowed 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.652 2.235 . . . . 0.0 112.388 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.59 -175.45 3.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.1 pttt -84.78 42.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -93.53 142.54 27.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -113.04 40.15 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -110.66 163.2 13.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.811 HG21 ' CH2' ' A' ' 25' ' ' TRP . 96.2 m -141.33 130.12 22.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.24 154.53 24.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.49 -60.28 3.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.72 ' HA ' HD12 ' A' ' 23' ' ' LEU . 8.3 m-20 -54.69 -14.63 1.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 24' ' ' GLN . 18.1 tt0 -86.54 -59.08 2.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.59 -35.2 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.169 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.72 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.7 mt -69.84 -38.03 76.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' GLU . 33.9 mt-30 -55.89 -22.03 23.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.811 ' CH2' HG21 ' A' ' 17' ' ' THR . 48.3 m0 -71.45 -21.33 61.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -78.49 -41.64 31.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -55.06 -57.84 10.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -134.27 122.71 23.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 tp -44.63 -45.92 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 31' ' ' LYS . 11.1 t0 -36.7 -64.36 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 30' ' ' ASP . 16.7 mmtm -35.46 -43.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.412 HD12 ' HA3' ' A' ' 38' ' ' GLY . 26.1 tp -62.73 -66.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.8 mt -47.78 -46.64 30.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -55.57 -44.58 76.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -72.35 127.75 33.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -58.79 -45.61 89.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.43 ' CE2' HD23 ' A' ' 143' ' ' LEU . 2.0 t80 -61.12 -54.48 44.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.412 ' HA3' HD12 ' A' ' 32' ' ' LEU . . . -60.39 -46.75 93.74 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.433 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.5 tp -55.06 -61.63 2.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.21 -60.29 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.032 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -57.96 -46.85 84.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -49.22 -46.37 45.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.607 ' HG2' HD13 ' A' ' 55' ' ' LEU . 35.8 mtpt -58.72 -62.62 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 t -41.66 -41.66 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 134' ' ' PHE . 44.4 t80 -59.44 -49.91 75.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.59 HD22 ' O ' ' A' ' 51' ' ' SER . 74.6 mt -55.06 -46.11 75.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -51.15 -52.63 42.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.0 t -60.46 -30.99 70.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.446 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 39.7 mm-40 -88.64 -12.88 41.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 46' ' ' LEU . 24.4 m-85 72.04 34.7 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.815 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.59 ' O ' HD22 ' A' ' 46' ' ' LEU . 65.2 m -130.89 37.04 3.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -76.54 -22.61 54.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 91' ' ' LYS . 4.7 pt-20 -57.36 -32.78 67.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -59.7 -52.53 65.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.703 HD22 HD11 ' A' ' 59' ' ' ILE . 1.2 tt -63.84 -46.8 83.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -41.75 -57.73 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.463 ' HB2' HG11 ' A' ' 93' ' ' VAL . 24.1 t80 -49.24 -36.25 19.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -68.12 -60.64 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.703 HD11 HD22 ' A' ' 55' ' ' LEU . 27.4 mt -47.59 -46.38 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.4 -46.86 86.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.7 m -51.99 -56.15 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.04 -36.94 78.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -69.51 -34.09 73.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.543 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -64.66 -36.15 83.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.8 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.6 mttt -61.51 -30.1 70.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -67.66 -2.63 7.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.946 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.516 HG22 ' HG3' ' A' ' 73' ' ' MET . 57.4 mt -88.56 130.35 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.35 -25.21 8.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -53.21 139.8 44.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.656 0.741 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -15.45 37.34 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.9 -60.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.486 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -49.34 -40.41 35.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.516 ' HG3' HG22 ' A' ' 67' ' ' ILE . 12.6 mtp -57.0 -33.88 67.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.46 -53.08 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.467 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . 9.5 mt-10 -57.98 -58.1 9.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 27.2 tptt -49.92 -33.06 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -58.81 -44.54 90.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.087 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 75' ' ' GLU . 1.7 ptpt -69.33 -38.0 77.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -52.93 -50.88 63.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.8 mt -64.01 -29.13 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.75 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.5 OUTLIER -74.81 -45.79 41.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.492 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 4.9 mm-40 -66.11 -8.54 24.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.856 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 18.1 tt0 -104.84 -53.38 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -99.99 -53.63 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.544 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.21 25.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.697 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.4 152.96 22.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.5 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 46.1 m -58.74 132.76 54.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.424 ' HG2' HG22 ' A' ' 87' ' ' THR . 19.2 pt-20 40.54 32.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.856 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -52.73 162.66 0.92 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 0.0 111.073 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.65 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.5 Cg_endo -69.74 -32.72 18.09 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.636 2.224 . . . . 0.0 112.366 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 53' ' ' GLU . 8.7 mtpp -124.02 19.54 9.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.787 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 48.4 tt0 -45.87 97.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.463 HG11 ' HB2' ' A' ' 57' ' ' PHE . 34.1 m -51.82 -179.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -94.83 103.25 15.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -150.39 113.07 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -53.13 160.85 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -47.83 -35.67 10.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -51.71 -70.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.467 HG21 ' HG3' ' A' ' 121' ' ' ARG . 90.6 m -59.9 -51.61 68.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.446 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -45.55 -49.86 13.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.72 -46.76 81.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.5 mm -43.62 -66.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 88.7 m -39.44 -51.57 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.8 mtp -48.43 -57.05 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.492 ' O ' HG12 ' A' ' 108' ' ' VAL . 6.8 mtpp -60.1 -17.38 39.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -92.88 -3.37 54.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.75 HD11 ' CD2' ' A' ' 81' ' ' TYR . 92.9 mt -85.07 4.4 34.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 105' ' ' LYS . 7.3 p -92.03 -42.94 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.618 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 38.5 mm-40 -130.8 43.53 1.14 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.615 0.721 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.6 Cg_endo -69.71 135.71 31.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.383 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.6 t -133.4 -67.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 112' ' ' LEU . 10.1 mt -134.81 -38.9 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 51.2 p -95.74 24.16 5.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.1 m -53.85 -49.59 68.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.432 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 42.7 m-85 -102.83 38.81 1.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -64.17 -41.89 96.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 6.2 tpp -78.76 -59.59 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.438 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -49.41 -41.41 39.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.432 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 46.4 tt0 -60.94 -56.9 15.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -27.66 69.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.467 ' HG3' HG21 ' A' ' 99' ' ' THR . 0.2 OUTLIER -65.0 -51.35 62.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 122' ' ' ILE . 11.7 mm -69.93 -42.98 79.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -54.85 -35.86 64.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 127' ' ' GLU . . . -73.87 -21.4 60.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.81 -44.67 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.413 ' SD ' ' HA ' ' A' ' 55' ' ' LEU . 42.6 mtm -67.44 -10.87 55.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.616 ' O ' HD23 ' A' ' 131' ' ' LEU . 5.0 pt-20 -98.52 -21.94 16.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.438 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -112.02 -5.32 14.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 132' ' ' PRO . 16.7 t0 -115.43 -67.33 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 134' ' ' PHE . 22.5 p -75.56 -53.22 8.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 127' ' ' GLU . 5.1 tp -39.79 -54.25 4.23 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.66 0.743 . . . . 0.0 110.962 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 52.7 Cg_endo -69.83 -19.8 35.32 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.672 2.248 . . . . 0.0 112.326 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.5 mmm180 -96.05 -14.08 23.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 130' ' ' SER . 20.2 t80 -87.65 -40.39 14.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.448 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 33.0 m -64.0 -23.45 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -71.75 -41.0 68.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 138' ' ' GLU . 53.4 p -69.27 135.37 50.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.786 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 139' ' ' PHE . 1.2 mt-10 -36.27 -36.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 138' ' ' GLU . 72.8 m-85 -34.55 -42.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.873 ' HA ' HD12 ' A' ' 143' ' ' LEU . 69.5 t80 -83.71 -43.39 15.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 145' ' ' SER . 67.4 mm-40 -52.94 -34.93 57.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -74.76 -17.12 60.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.873 HD12 ' HA ' ' A' ' 140' ' ' TYR . 33.9 mt -80.5 -21.95 41.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.479 HG13 ' N ' ' A' ' 145' ' ' SER . 26.2 pt -110.48 -44.06 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.479 ' N ' HG13 ' A' ' 144' ' ' ILE . 2.3 m -87.76 -46.59 9.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.412 ' HA3' ' HD2' ' A' ' 147' ' ' PRO . . . 48.01 -140.29 9.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.412 ' HD2' ' HA3' ' A' ' 146' ' ' GLY . 53.1 Cg_endo -69.82 9.46 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.649 2.233 . . . . 0.0 112.326 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 145' ' ' SER . 2.6 m -41.12 163.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 32.7 p -146.13 137.36 24.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.495 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 t 58.99 42.95 18.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.865 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.7 p -126.35 128.25 46.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.42 142.65 13.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m 53.98 45.55 27.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.399 . . . . 0.0 110.882 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.7 p -109.84 43.22 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.01 100.36 2.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 128.35 15.84 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.615 2.21 . . . . 0.0 112.376 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -55.85 172.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HD3' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -113.38 145.68 33.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.52 0.676 . . . . 0.0 110.902 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 170.67 15.93 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -168.61 137.53 2.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.006 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.62 143.25 23.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.2 t -70.84 159.14 35.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.169 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -133.36 175.1 9.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -153.94 177.98 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.742 HG21 ' CH2' ' A' ' 25' ' ' TRP . 99.4 m -136.24 138.18 41.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -90.78 159.87 16.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.794 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 19' ' ' LEU . 1.2 tm? -58.75 -56.34 23.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.597 ' HA ' HD12 ' A' ' 23' ' ' LEU . 3.5 m-20 -53.03 -22.37 5.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 24' ' ' GLN . 3.8 tp10 -81.72 -58.48 2.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -38.53 -35.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.116 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.3 mt -71.69 -39.72 70.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 21' ' ' GLU . 24.1 mt-30 -55.95 -21.89 23.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.742 ' CH2' HG21 ' A' ' 17' ' ' THR . 45.2 m0 -69.64 -18.69 63.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -79.34 -36.68 39.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -53.19 -58.67 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.2 t -135.46 136.41 41.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.82 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.5 tp -53.3 -42.33 66.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' LYS . 4.7 m-20 -46.06 -61.75 1.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.2 mtpm? -36.41 -41.89 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 30.6 tp -66.34 -63.72 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.498 HD13 ' CE3' ' A' ' 58' ' ' TRP . 74.1 mt -48.15 -50.41 28.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -50.59 -45.64 57.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -72.19 124.62 25.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -57.2 -46.94 82.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.601 ' CB ' ' HG1' ' A' ' 17' ' ' THR . 2.1 t80 -58.48 -57.14 14.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.958 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.2 -40.41 95.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.2 tp -61.34 -63.11 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -40.33 -52.23 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.9 m -65.63 -45.74 81.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.768 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.41 ' HZ ' ' HG ' ' A' ' 130' ' ' SER . 18.8 t80 -50.74 -43.79 58.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.633 ' HG2' HD13 ' A' ' 55' ' ' LEU . 39.0 mtpt -61.07 -64.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 t -38.94 -46.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.808 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.544 ' CZ ' ' HG3' ' A' ' 49' ' ' GLU . 29.3 t80 -54.3 -46.76 72.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.704 HD22 ' O ' ' A' ' 51' ' ' SER . 51.9 mt -57.5 -46.07 84.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -45.89 -53.83 9.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.8 t -62.62 -42.45 99.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.816 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.544 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 13.2 mm-40 -73.81 -14.67 61.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' LEU . 22.3 m-85 69.4 35.56 2.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.704 ' O ' HD22 ' A' ' 46' ' ' LEU . 36.5 m -131.19 36.61 3.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.839 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.571 ' HA ' HD13 ' A' ' 46' ' ' LEU . 8.5 tt0 -76.2 -23.07 54.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.48 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 25.6 pm0 -56.7 -32.03 65.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.48 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 4.7 m-20 -61.76 -49.52 76.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.664 HD22 ' CD1' ' A' ' 59' ' ' ILE . 0.8 OUTLIER -66.87 -51.27 57.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' CD ' ' HE2' ' A' ' 91' ' ' LYS . 13.6 mt-10 -39.09 -59.51 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -46.76 -34.25 5.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.498 ' CE3' HD13 ' A' ' 33' ' ' LEU . 39.2 t90 -72.46 -63.74 1.09 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.664 ' CD1' HD22 ' A' ' 55' ' ' LEU . 44.9 mt -44.34 -44.86 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.86 -54.31 48.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.144 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 51.9 m -42.59 -55.53 3.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -55.4 -41.25 72.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.84 -16.99 64.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.565 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -88.62 -27.25 21.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.003 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -68.79 -34.04 74.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -78.68 12.53 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.491 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 26.5 mt -90.24 113.83 26.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 69' ' ' SER . 2.8 pptp? -94.33 -32.4 13.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.405 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 3.1 m -49.62 134.16 19.31 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.66 0.743 . . . . 0.0 110.864 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.64 -29.01 25.15 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.696 2.264 . . . . 0.0 112.388 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.83 -45.4 12.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.491 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 2.8 tptm -60.4 -52.1 66.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.44 ' HG3' HG22 ' A' ' 67' ' ' ILE . 14.1 mtp -42.18 -39.63 2.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -88.04 -61.71 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.037 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -47.96 -56.21 8.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -51.09 -46.04 61.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.457 ' HB2' ' HE2' ' A' ' 64' ' ' TYR . . . -46.04 -48.13 16.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.14 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.498 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 4.1 pttp -62.73 -38.35 90.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.498 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 18.3 mt-30 -53.92 -51.46 63.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.9 mt -61.11 -29.61 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.604 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -76.58 -46.03 27.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.51 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 15.6 mt-10 -65.75 -8.28 20.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.862 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 20.6 tt0 -106.15 -52.15 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -100.78 -54.03 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.568 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.2 mm -80.24 28.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.182 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.681 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.52 150.52 25.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.483 HG22 ' HG3' ' A' ' 88' ' ' GLU . 20.2 m -61.17 123.18 16.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.483 ' HG3' HG22 ' A' ' 87' ' ' THR . 18.2 mt-10 53.45 27.51 6.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.862 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -50.69 161.4 0.65 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.54 0.686 . . . . 0.0 111.083 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.607 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.9 Cg_endo -69.82 -28.23 25.22 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.691 2.26 . . . . 0.0 112.306 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.404 ' HE2' ' CD ' ' A' ' 56' ' ' GLU . 8.7 mtpp -124.25 17.9 9.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.814 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 36.0 tt0 -40.19 99.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.415 HG23 HG12 ' A' ' 95' ' ' ILE . 29.0 m -58.92 -179.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -94.92 99.59 11.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.415 HG12 HG23 ' A' ' 93' ' ' VAL . 1.0 OUTLIER -149.25 112.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -50.92 162.39 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -50.17 -38.69 40.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -48.39 -69.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.405 HG21 ' HG3' ' A' ' 121' ' ' ARG . 22.2 m -60.94 -52.38 65.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.173 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.409 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -43.64 -46.41 7.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -60.76 -44.26 96.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.509 HG13 ' HE2' ' A' ' 117' ' ' MET . 30.8 mm -43.72 -63.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 89.0 m -43.08 -52.22 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.0 mtp -48.8 -57.13 6.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -60.43 -13.57 14.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -97.31 -0.05 47.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.564 HD11 ' CD2' ' A' ' 81' ' ' TYR . 98.1 mt -88.24 3.39 49.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 109' ' ' GLU . 7.4 p -90.73 -40.87 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.615 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 6.1 mm-40 -133.93 43.95 1.13 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.652 0.739 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.78 125.59 12.31 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.627 2.218 . . . . 0.0 112.399 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.4 t -120.1 -67.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 112' ' ' LEU . 9.6 mt -133.64 -45.28 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.1 p -90.63 24.01 2.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.458 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 6.1 p -53.37 -38.76 63.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.866 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.41 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 69.1 m-85 -115.32 48.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -78.64 -50.23 11.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.509 ' HE2' HG13 ' A' ' 102' ' ' ILE . 0.5 OUTLIER -65.42 -59.42 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.93 -43.17 63.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.15 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.41 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 5.2 tp60 -58.63 -58.74 7.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -61.08 -26.79 67.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.405 ' HG3' HG21 ' A' ' 99' ' ' THR . 0.0 OUTLIER -66.71 -53.06 37.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 122' ' ' ILE . 8.0 mm -68.07 -46.45 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.403 ' ND1' ' C ' ' A' ' 123' ' ' HIS . 3.6 t-80 -52.47 -36.49 54.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' ' 128' ' ' LYS . . . -72.21 -22.74 61.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -84.44 -35.2 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 50.3 mtm -75.55 -9.04 58.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.605 ' O ' HD23 ' A' ' 131' ' ' LEU . 3.3 pt-20 -96.76 -25.19 15.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 124' ' ' ALA . 2.7 pttp -112.65 -5.35 13.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.807 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 9.0 t0 -110.19 -67.17 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.878 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 133' ' ' ARG . 93.2 p -80.85 -54.91 5.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.618 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.1 tp -35.13 -53.04 1.17 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.6 Cg_endo -69.79 -27.89 25.77 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.298 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 130' ' ' SER . 19.1 mtp180 -87.42 -14.23 41.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 130' ' ' SER . 22.4 t80 -82.22 -52.69 6.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.443 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 32.5 m -53.74 -27.7 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -68.15 -47.85 66.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 138' ' ' GLU . 54.3 p -61.65 135.48 57.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 139' ' ' PHE . 3.7 mm-40 -36.39 -35.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' A' ' 138' ' ' GLU . 44.5 m-85 -34.07 -42.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.66 ' HA ' HD12 ' A' ' 143' ' ' LEU . 63.1 t80 -84.02 -49.27 9.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 145' ' ' SER . 85.7 mm-40 -44.72 -30.5 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 3.6 pt-20 -78.85 -32.25 45.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 140' ' ' TYR . 30.9 mt -64.32 -35.13 79.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 145' ' ' SER . 31.5 pt -97.46 -41.55 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 4.4 t -78.05 -55.27 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 47.91 -172.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -46.6 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.359 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 149' ' ' SER . 19.6 m -87.09 41.35 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 148' ' ' SER . 32.8 t 34.38 41.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.807 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 m -119.04 116.5 26.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.9 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -111.41 163.31 14.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.0 111.29 4.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.432 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -157.73 123.88 4.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 m -101.04 112.08 24.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.49 60.39 0.52 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.08 46.77 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.646 2.231 . . . . 0.0 112.311 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -136.59 155.28 50.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -165.76 129.74 1.69 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.569 0.699 . . . . 0.0 110.918 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -169.33 0.32 Allowed 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.67 2.247 . . . . 0.0 112.319 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.39 136.84 16.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.429 ' HA ' ' NZ ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -169.8 145.91 3.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.2 t -121.26 170.87 9.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -166.35 176.17 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -117.49 -178.14 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.651 HG21 ' CH2' ' A' ' 25' ' ' TRP . 51.9 m -118.02 149.23 41.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -108.13 161.08 15.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.05 -62.87 1.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.645 ' HA ' HD12 ' A' ' 23' ' ' LEU . 7.9 t0 -52.19 -19.63 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 24' ' ' GLN . 2.7 tp10 -82.29 -57.97 3.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.59 -33.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.8 mt -73.4 -38.56 65.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' GLU . 27.4 mt-30 -56.32 -19.54 14.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.793 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 46.8 m0 -71.28 -19.61 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 26' ' ' ARG . 37.1 mtp180 -76.26 -40.58 51.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.23 -60.28 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.0 t -134.08 129.22 35.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.771 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 tp -48.83 -40.34 28.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -47.1 -57.45 5.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -41.76 -36.33 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' A' ' 42' ' ' PHE . 32.4 tp -71.07 -62.09 1.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.7 mt -50.33 -48.73 55.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.961 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -49.44 -47.63 48.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -73.21 133.8 44.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -59.81 -58.08 10.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.409 ' CE2' ' CD2' ' A' ' 143' ' ' LEU . 1.9 t80 -49.73 -52.56 30.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.11 -47.53 90.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.51 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.8 tp -58.26 -65.03 0.71 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.795 0.331 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.39 -52.49 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 t -62.1 -53.1 60.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.427 ' HB2' HD21 ' A' ' 32' ' ' LEU . 33.2 t80 -46.47 -44.68 17.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -55.72 -61.13 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -44.27 -46.66 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -51.89 -45.77 64.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.568 HD22 ' O ' ' A' ' 51' ' ' SER . 80.0 mt -65.03 -43.41 92.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -48.54 -53.81 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m -65.29 -41.24 94.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -73.45 -12.76 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' LEU . 30.5 m-85 68.9 36.16 2.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.568 ' O ' HD22 ' A' ' 46' ' ' LEU . 31.9 m -130.98 35.31 3.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -75.29 -25.44 57.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.434 ' HB2' ' HB3' ' A' ' 91' ' ' LYS . 4.0 pt-20 -54.16 -36.58 63.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -57.75 -53.87 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.744 HD22 ' CD1' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -61.73 -51.03 70.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -39.22 -54.68 1.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.553 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 22.1 t80 -50.17 -35.71 27.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' LEU . 53.1 t90 -71.0 -60.12 2.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.744 ' CD1' HD22 ' A' ' 55' ' ' LEU . 36.1 mt -49.58 -46.88 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.83 -51.92 67.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.3 m -45.01 -64.08 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -48.03 -42.28 27.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -63.87 -25.81 68.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.599 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -82.52 -20.54 36.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.835 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.476 ' O ' HD22 ' A' ' 112' ' ' LEU . 14.7 mmtp -69.15 -34.08 74.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.843 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -81.09 19.36 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.915 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.57 HG22 ' HG3' ' A' ' 73' ' ' MET . 22.1 mt -96.18 116.07 37.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.41 ' HD3' ' C ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -99.59 -35.73 9.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -43.78 135.01 3.77 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.667 0.746 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 -26.39 28.15 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.36 -37.3 14.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.467 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 2.7 tptm -68.66 -50.09 53.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.57 ' HG3' HG22 ' A' ' 67' ' ' ILE . 8.8 mtp -46.93 -35.99 7.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.876 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.54 -59.35 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -50.94 -59.8 3.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.451 ' HG2' ' CD1' ' A' ' 67' ' ' ILE . 42.6 tptt -46.47 -46.73 19.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -47.06 -52.08 15.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.485 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -58.38 -38.31 77.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.485 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 55.8 mt-30 -54.01 -55.78 24.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 41.0 mt -57.64 -26.0 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.616 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -80.31 -43.56 21.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.493 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 9.2 mt-10 -67.89 -8.56 37.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.861 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 14.3 tt0 -105.78 -51.83 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -100.56 -53.89 2.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.557 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.72 26.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.715 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -106.21 154.97 19.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.47 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 91.3 m -59.86 135.61 57.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 37.55 31.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.806 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.861 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -51.28 160.66 0.88 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.583 0.706 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 54.4 Cg_endo -69.75 -29.39 23.99 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.732 2.288 . . . . 0.0 112.391 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.434 ' HB3' ' HB2' ' A' ' 53' ' ' GLU . 7.3 mtpp -123.97 17.61 9.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.579 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 25.2 tt0 -41.25 100.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.94 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.648 HG23 HG12 ' A' ' 95' ' ' ILE . 35.8 m -57.93 179.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -94.24 94.44 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.648 HG12 HG23 ' A' ' 93' ' ' VAL . 1.3 pt -143.46 112.92 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -52.03 163.07 0.39 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -51.83 -38.82 57.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -49.39 -64.96 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.448 HG21 ' HG3' ' A' ' 121' ' ' ARG . 38.1 m -64.93 -48.39 74.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.144 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.18 -44.86 22.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -61.9 -45.44 93.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.802 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.7 mm -44.77 -64.4 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.452 ' OG1' ' HB2' ' A' ' 118' ' ' ALA . 84.8 m -41.16 -52.24 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.3 mtp -47.57 -56.47 7.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.84 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -60.2 -19.56 54.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -92.17 6.29 47.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.564 HD11 ' CD2' ' A' ' 81' ' ' TYR . 40.4 mt -92.16 -1.99 56.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.0 t -77.41 -58.26 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 1.0 OUTLIER -124.19 50.69 3.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.73 . . . . 0.0 110.857 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.8 Cg_endo -69.75 132.02 22.47 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.727 2.285 . . . . 0.0 112.369 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.5 m -124.23 -71.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 65' ' ' LYS . 56.4 mt -131.93 -44.32 0.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.9 m -91.69 22.89 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.454 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 2.6 p -58.54 -41.21 85.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.869 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -106.41 31.67 5.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -59.68 -54.33 47.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.412 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 4.1 tpp -62.64 -60.87 2.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.553 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -47.65 -39.9 18.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.039 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -65.87 -54.81 21.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 117' ' ' MET . 3.1 pttp -63.08 -27.89 69.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.448 ' HG3' HG21 ' A' ' 99' ' ' THR . 0.2 OUTLIER -66.15 -60.03 3.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 122' ' ' ILE . 13.0 mm -61.21 -42.01 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.21 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -55.64 -37.1 67.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 127' ' ' GLU . . . -71.12 -19.16 62.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -86.7 -55.76 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.0 mtm -58.5 -10.65 2.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.62 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.9 pt-20 -97.28 -26.1 15.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 -1.27 15.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.1 t70 -116.58 -66.67 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 133' ' ' ARG . 5.3 p -79.49 -52.41 8.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.628 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.5 tp -38.91 -52.72 3.71 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.621 0.724 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.628 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.7 Cg_endo -69.75 -22.25 32.41 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.595 2.197 . . . . 0.0 112.382 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 130' ' ' SER . 38.0 mmm-85 -93.2 -14.67 26.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.0 t80 -85.92 -33.41 21.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.515 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 34.2 m -70.78 -22.98 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 27.5 mmm-85 -75.25 -46.82 31.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 91.7 p -57.24 169.46 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 139' ' ' PHE . 1.6 tt0 -68.56 -39.91 80.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 138' ' ' GLU . 94.6 m-85 -36.92 -39.4 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.515 ' CG ' ' HA ' ' A' ' 135' ' ' VAL . 63.1 t80 -86.81 -56.14 3.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.686 ' HA ' HD11 ' A' ' 144' ' ' ILE . 90.7 mm-40 -42.4 -30.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 5.5 pt-20 -76.65 -34.87 58.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.793 HD13 ' HZ3' ' A' ' 25' ' ' TRP . 58.9 mt -53.15 -32.5 48.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.832 HD13 ' H ' ' A' ' 144' ' ' ILE . 0.2 OUTLIER -108.24 -34.12 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 41.5 t -69.81 -61.26 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 145' ' ' SER . . . 33.72 -151.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.448 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 84.87 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.682 2.254 . . . . 0.0 112.306 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 18.4 p -165.02 -179.44 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.81 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.49 174.12 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.428 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -74.94 136.98 41.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.795 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -112.6 99.79 8.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.56 -145.24 17.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.2 p -153.06 168.18 26.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.907 0.384 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 m -160.42 158.72 29.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.814 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.03 103.07 0.45 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.431 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 173.35 11.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -105.37 178.52 4.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -130.28 154.5 81.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.606 0.717 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 179.26 3.85 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.655 2.237 . . . . 0.0 112.306 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.39 -175.17 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.061 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -91.38 178.09 6.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.2 t -105.29 171.8 7.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -79.69 -177.61 5.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 mmtm -124.93 174.06 8.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.744 HG21 ' CH2' ' A' ' 25' ' ' TRP . 89.7 m -84.85 142.66 29.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -85.17 163.48 18.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.7 OUTLIER -62.93 -55.86 22.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.525 ' HA ' HD12 ' A' ' 23' ' ' LEU . 12.1 t0 -57.48 -12.18 2.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 24' ' ' GLN . 4.5 tp10 -91.0 -59.14 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.57 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -38.8 -29.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.0 mt -76.94 -41.09 44.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 21' ' ' GLU . 13.2 mt-30 -55.51 -15.81 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.968 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.744 ' CH2' HG21 ' A' ' 17' ' ' THR . 40.0 m0 -71.79 -23.03 61.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.401 ' HG2' HG11 ' A' ' 135' ' ' VAL . 64.9 mtp180 -72.81 -38.79 67.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.825 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -50.72 -59.16 4.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.5 t -135.32 138.51 43.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.5 tp -56.89 -30.09 63.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -56.06 -57.15 13.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' O ' ' CD1' ' A' ' 25' ' ' TRP . 12.1 mtpp -46.4 -25.71 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.8 tp -81.78 -59.13 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.9 mt -54.81 -47.14 74.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -53.15 -45.94 68.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -74.38 114.36 12.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -42.8 -59.32 2.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -45.72 -61.24 1.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -53.13 -50.0 53.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.0 tp -55.14 -63.96 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.32 -54.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.2 t -65.19 -38.25 89.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -58.06 -39.24 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.714 ' HG2' HD13 ' A' ' 55' ' ' LEU . 35.7 mtpt -64.44 -63.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 t -39.77 -41.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.529 ' CD2' HD12 ' A' ' 46' ' ' LEU . 10.9 t80 -56.09 -49.92 72.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.756 HD23 ' HA ' ' A' ' 52' ' ' GLU . 7.1 mp -55.41 -49.08 73.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -44.0 -37.82 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.5 t -68.06 -36.57 80.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -91.96 -3.82 55.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 63.69 28.84 15.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.15 25.05 10.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.756 ' HA ' HD23 ' A' ' 46' ' ' LEU . 16.2 tt0 -65.57 -13.75 59.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.458 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 23.0 pm0 -66.63 -34.81 78.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.458 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 12.4 m-20 -59.51 -33.83 71.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.731 HD22 ' CD1' ' A' ' 59' ' ' ILE . 1.1 tt -79.51 -45.3 19.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -46.19 -52.1 13.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.426 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 18.1 t80 -52.74 -36.02 57.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -69.98 -62.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.731 ' CD1' HD22 ' A' ' 55' ' ' LEU . 38.2 mt -46.5 -42.74 5.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.094 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.78 -41.67 82.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 33.8 m -56.74 -53.29 59.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.64 -32.14 71.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -72.76 -32.32 65.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.532 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -69.86 -29.15 66.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -64.78 -21.24 66.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -85.47 18.32 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.694 HG22 ' HG3' ' A' ' 73' ' ' MET . 22.6 mt -105.07 132.9 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.46 -6.01 8.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 t -71.34 135.96 84.21 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -8.64 24.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.245 . . . . 0.0 112.381 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -104.96 -44.81 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.506 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 4.2 tptp -70.09 -46.74 64.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.694 ' HG3' HG22 ' A' ' 67' ' ' ILE . 11.3 mtp -49.03 -34.02 12.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.2 -58.39 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -54.31 -57.58 10.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.436 ' NZ ' HD11 ' A' ' 80' ' ' ILE . 24.3 tptp -44.74 -37.99 4.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -59.52 -48.93 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -58.67 -34.35 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -61.87 -58.32 8.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.436 HD11 ' NZ ' ' A' ' 76' ' ' LYS . 31.2 mt -55.79 -25.14 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.127 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.613 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -82.2 -44.16 16.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 6.5 mm-40 -67.2 -8.38 30.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.868 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 15.6 tt0 -105.36 -53.1 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -99.63 -53.51 3.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.553 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.56 25.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.195 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.595 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -106.17 152.74 23.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.488 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 31.7 m -57.11 137.14 56.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.465 ' HG2' HG22 ' A' ' 87' ' ' THR . 13.3 pt-20 35.88 31.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.868 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -49.18 160.91 0.48 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.699 . . . . 0.0 111.132 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.605 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.6 Cg_endo -69.74 -32.73 18.06 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.688 2.258 . . . . 0.0 112.346 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 92' ' ' GLU . 9.6 mtpp -122.64 11.86 9.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.816 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 58.6 tt0 -35.2 105.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.665 HG23 HG12 ' A' ' 95' ' ' ILE . 36.0 m -58.93 -176.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -97.38 92.19 5.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.665 HG12 HG23 ' A' ' 93' ' ' VAL . 1.2 pt -139.78 113.86 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -53.35 155.49 2.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.966 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -45.44 -34.92 3.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -52.07 -70.78 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 56.2 m -59.26 -49.26 78.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.49 -48.06 19.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.22 -43.67 92.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 24.6 mm -46.9 -63.63 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.445 ' OG1' ' HB2' ' A' ' 118' ' ' ALA . 95.0 m -42.14 -51.84 4.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mtp -45.77 -53.44 9.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -62.82 -21.99 66.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -89.64 6.91 39.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.803 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.517 HD11 ' CD2' ' A' ' 81' ' ' TYR . 23.3 mt -92.44 -3.29 55.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.7 t -77.49 -58.72 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 1.6 pt-20 -122.72 51.22 3.26 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.682 0.753 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.78 137.08 34.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.3 t -132.63 -70.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.775 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.5 mt -132.5 -45.26 0.9 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.6 p -88.57 20.76 3.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 p -57.67 -49.02 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -99.53 29.14 4.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -58.26 -54.72 43.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 3.4 tpp -63.65 -63.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.445 ' HB2' ' OG1' ' A' ' 103' ' ' THR . . . -45.13 -42.39 8.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -63.46 -54.54 34.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -63.8 -25.12 68.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.453 ' CD ' ' C ' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -71.07 -49.81 40.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.405 ' HA ' HD13 ' A' ' 122' ' ' ILE . 7.1 mm -72.69 -42.57 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -54.31 -39.45 67.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.83 -22.86 62.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.03 -38.15 27.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 44.9 mtm -76.04 -11.13 59.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.698 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.1 pt-20 -99.45 -21.6 15.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 132' ' ' PRO . 12.1 ptmt -109.35 -10.36 14.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.503 ' O ' ' CG ' ' A' ' 133' ' ' ARG . 7.7 t70 -113.54 -65.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 133' ' ' ARG . 40.7 m -73.01 -59.69 2.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.698 HD23 ' O ' ' A' ' 127' ' ' GLU . 4.2 tp -34.11 -56.09 0.76 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.2 Cg_endo -69.75 -26.45 27.62 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.266 . . . . 0.0 112.275 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 130' ' ' SER . 15.4 mmm180 -88.26 -12.82 42.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 130' ' ' SER . 14.4 t80 -86.53 -38.14 17.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.463 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 27.6 m -67.11 -15.48 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 22.8 mmm-85 -82.57 -38.64 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 75.2 p -71.71 138.84 48.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 140' ' ' TYR . 0.8 OUTLIER -38.56 -43.64 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.472 ' C ' ' O ' ' A' ' 138' ' ' GLU . 86.9 m-85 -32.19 -37.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.666 ' HA ' HD12 ' A' ' 143' ' ' LEU . 73.1 t80 -87.96 -53.58 4.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.049 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.582 ' HA ' HD11 ' A' ' 144' ' ' ILE . 57.5 mm-40 -40.94 -40.45 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 139' ' ' PHE . 0.3 OUTLIER -68.37 -34.5 76.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 140' ' ' TYR . 83.6 mt -52.56 -21.54 3.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.582 HD11 ' HA ' ' A' ' 141' ' ' GLN . 0.1 OUTLIER -121.33 -35.87 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.029 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.458 ' N ' HG12 ' A' ' 144' ' ' ILE . 3.7 m -77.94 -15.78 58.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -74.46 -158.89 6.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.551 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 95.49 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.736 2.291 . . . . 0.0 112.332 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.2 t -170.23 149.28 3.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 72.1 m -92.82 130.33 38.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.514 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -141.91 159.96 41.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.86 0.362 . . . . 0.0 110.8 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 t -156.36 154.01 29.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.67 131.19 2.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 p -63.37 122.8 17.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.901 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 t -74.89 124.47 26.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.46 82.58 0.84 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.548 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 151.71 69.33 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.622 2.215 . . . . 0.0 112.361 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -159.64 116.33 2.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -119.15 139.14 27.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.59 0.709 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -168.71 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.339 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.25 -62.2 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.74 156.89 17.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.97 -176.99 3.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.212 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.442 ' OE1' ' N ' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -73.69 147.12 43.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.953 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' N ' ' OE1' ' A' ' 15' ' ' GLN . 32.3 mmtp -83.07 141.15 32.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.881 HG21 ' CH2' ' A' ' 25' ' ' TRP . 83.4 m -43.81 139.86 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -101.09 155.64 17.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -47.1 -62.92 1.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.67 ' HA ' HD12 ' A' ' 23' ' ' LEU . 2.5 t70 -51.39 -16.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 24' ' ' GLN . 10.8 tt0 -85.5 -58.36 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.573 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -41.09 -32.37 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.8 mt -74.22 -37.48 63.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' GLU . 12.4 mt-30 -55.12 -19.59 7.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.881 ' CH2' HG21 ' A' ' 17' ' ' THR . 34.4 m0 -74.43 -23.47 58.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.403 ' HG2' HG11 ' A' ' 135' ' ' VAL . 50.0 mtp180 -71.06 -41.86 70.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -54.73 -57.84 9.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -135.3 137.59 42.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.401 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 7.0 tp -56.75 -45.67 81.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -38.38 -59.61 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.476 ' C ' ' HG2' ' A' ' 34' ' ' GLN . 14.2 mmtm -40.17 -37.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.479 HD12 ' HA3' ' A' ' 38' ' ' GLY . 27.0 tp -67.75 -66.78 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.2 mt -45.41 -52.55 9.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.476 ' HG2' ' C ' ' A' ' 31' ' ' LYS . 6.6 pt20 -50.74 -34.87 28.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.464 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 3.1 t-20 -82.01 132.43 35.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.47 ' CG ' ' N ' ' A' ' 37' ' ' TYR . 4.9 p30 -60.02 -54.58 44.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.47 ' N ' ' CG ' ' A' ' 36' ' ' ASN . 1.8 t80 -58.45 -54.2 49.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.479 ' HA3' HD12 ' A' ' 32' ' ' LEU . . . -55.89 -42.17 85.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.472 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.5 tp -62.6 -63.33 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.66 -57.03 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.0 p -60.84 -35.61 77.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.436 ' HB2' HD21 ' A' ' 32' ' ' LEU . 22.0 t80 -61.65 -40.06 93.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.838 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.559 ' HG2' HD13 ' A' ' 55' ' ' LEU . 34.3 mtpt -62.71 -62.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' LYS . 2.6 t -37.89 -55.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -44.56 -46.07 9.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.427 ' HB3' ' C ' ' A' ' 51' ' ' SER . 87.1 mt -65.39 -51.66 58.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -42.01 -42.13 2.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.4 t -75.77 -36.78 59.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.531 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 4.7 mm-40 -87.94 16.84 5.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.531 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 50.1 p90 45.68 29.72 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.427 ' C ' ' HB3' ' A' ' 46' ' ' LEU . 47.4 m -116.76 25.1 10.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.791 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -71.11 -23.55 62.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 9.6 pm0 -61.65 -29.13 69.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.423 ' C ' ' SD ' ' A' ' 126' ' ' MET . 2.1 m-20 -61.03 -51.27 69.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 59' ' ' ILE . 0.4 OUTLIER -66.22 -49.04 68.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.945 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -39.6 -59.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.519 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 18.6 t80 -46.3 -33.46 3.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.418 ' CD1' ' NE2' ' A' ' 119' ' ' GLN . 28.3 t90 -73.25 -65.6 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.576 ' CD1' HD22 ' A' ' 55' ' ' LEU . 50.3 mt -45.3 -42.85 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.14 -53.89 51.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.052 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 55.8 m -44.72 -60.83 1.83 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -48.93 -41.77 34.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -65.96 -23.29 66.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -83.43 -19.14 36.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.973 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -72.24 -33.39 67.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -81.44 19.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.543 HG22 ' HG3' ' A' ' 73' ' ' MET . 10.5 mt -98.26 112.54 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -95.69 -32.45 12.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.809 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.409 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 2.1 m -46.76 133.33 8.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.656 0.741 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -24.56 29.27 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.503 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -91.58 -36.32 13.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.084 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.466 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -70.92 -47.78 57.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.837 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.543 ' HG3' HG22 ' A' ' 67' ' ' ILE . 8.6 mtp -48.99 -37.04 19.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.26 -54.79 3.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 5.0 mm-40 -54.57 -59.26 4.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 28.5 tptt -46.94 -42.8 18.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -50.69 -49.4 57.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.057 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.7 pttp -59.24 -34.04 71.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -60.47 -58.38 8.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.6 mt -53.7 -32.93 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.628 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.3 OUTLIER -75.93 -44.02 42.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.507 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 6.3 mm-40 -67.04 -8.76 32.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.86 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 16.9 tt0 -105.47 -51.08 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.402 ' C ' ' H ' ' A' ' 86' ' ' GLN . 68.0 m-85 -101.91 -54.72 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.564 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.3 mm -78.84 26.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.684 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -104.83 152.2 22.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.495 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 84.0 m -58.34 126.18 26.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.181 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.426 ' HG2' HG22 ' A' ' 87' ' ' THR . 21.3 mm-40 46.22 30.21 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.86 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -50.43 162.11 0.56 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.614 0.721 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.639 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.7 Cg_endo -69.72 -29.47 23.99 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.756 2.304 . . . . 0.0 112.319 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -123.82 16.98 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 30.4 tt0 -41.41 100.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.465 HG11 ' HB2' ' A' ' 57' ' ' PHE . 23.4 m -57.99 -175.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -98.42 98.44 9.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.2 pt -145.72 112.84 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.407 ' OD2' ' HB3' ' A' ' 98' ' ' PHE . 9.7 p-10 -52.58 160.39 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -48.58 -38.52 20.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.407 ' HB3' ' OD2' ' A' ' 96' ' ' ASP . 22.8 t80 -48.46 -70.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.407 HG21 ' HG3' ' A' ' 121' ' ' ARG . 25.8 m -60.3 -53.56 56.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.37 -47.15 6.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.975 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.4 -44.46 95.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.2 mm -46.29 -63.73 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.438 ' OG1' ' HB2' ' A' ' 118' ' ' ALA . 99.7 m -41.58 -51.15 4.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.5 mtp -48.01 -55.39 10.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.427 ' O ' HG12 ' A' ' 108' ' ' VAL . 7.0 mtpp -61.66 -14.42 30.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.932 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -95.94 0.32 51.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.628 HD11 ' CD2' ' A' ' 81' ' ' TYR . 92.3 mt -89.21 2.86 53.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 105' ' ' LYS . 7.6 p -89.29 -41.42 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 50.6 mt-10 -134.38 44.94 1.32 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.661 0.743 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.6 Cg_endo -69.74 132.36 23.2 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.708 2.272 . . . . 0.0 112.381 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -127.08 -67.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.0 mt -133.58 -45.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.4 p -92.87 25.11 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.499 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 4.2 p -56.81 -42.02 78.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -107.02 38.53 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.77 -60.09 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 6.9 tpp -57.18 -59.52 4.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.519 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -49.13 -44.15 42.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.064 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.418 ' NE2' ' CD1' ' A' ' 58' ' ' TRP . 5.6 tp60 -60.64 -56.66 18.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -63.03 -26.85 69.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.457 ' CD ' ' C ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -66.76 -56.69 9.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 122' ' ' ILE . 11.3 mm -64.68 -43.22 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -53.52 -38.66 63.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.783 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.41 -23.22 62.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.04 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -82.55 -41.5 19.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.423 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 44.1 mtm -72.66 -11.44 60.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.532 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.4 pt-20 -98.5 -24.12 15.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.427 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -111.01 -4.35 15.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 29.8 t70 -115.71 -65.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 134' ' ' PHE . 20.1 m -77.18 -57.44 3.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.613 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 4.6 tp -35.55 -53.85 1.3 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.584 0.707 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.9 Cg_endo -69.77 -26.36 27.59 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 130' ' ' SER . 79.1 mtt180 -90.73 -12.71 35.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.3 t80 -87.84 -30.35 20.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.447 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 28.9 m -71.67 -41.06 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.423 ' N ' HG23 ' A' ' 135' ' ' VAL . 25.9 mtt85 -58.44 -44.88 89.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 59.7 p -60.04 160.06 8.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 139' ' ' PHE . 3.1 tt0 -62.36 -37.69 86.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 138' ' ' GLU . 79.7 m-85 -37.71 -37.49 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.51 ' O ' HD13 ' A' ' 144' ' ' ILE . 62.7 t80 -89.72 -48.78 7.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.691 ' HA ' HD11 ' A' ' 144' ' ' ILE . 84.7 mm-40 -44.8 -30.77 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 4.1 pt-20 -76.49 -32.09 58.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.785 HD13 ' HZ3' ' A' ' 25' ' ' TRP . 69.6 mt -56.07 -31.36 63.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.839 HD13 ' H ' ' A' ' 144' ' ' ILE . 0.2 OUTLIER -109.86 -36.32 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 179.781 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 37.5 t -61.04 -31.67 71.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -51.17 -179.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.451 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 108.42 2.07 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.397 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.1 t -171.72 175.16 4.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 69.0 m -102.18 131.22 48.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 3' ' ' SER . 63.6 p 39.86 42.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.888 0.375 . . . . 0.0 110.86 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 2' ' ' SER . 3.4 t -37.52 -52.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.48 144.64 17.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.543 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.0 p -126.11 133.95 51.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.371 . . . . 0.0 110.813 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -69.99 178.11 2.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.48 87.15 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -179.28 2.79 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.641 2.228 . . . . 0.0 112.35 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -143.43 174.85 10.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.799 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.7 151.6 73.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.709 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 154.73 67.26 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.249 . . . . 0.0 112.378 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' LYS . . . -121.95 -39.66 2.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' ALA . 27.3 pttt -34.47 146.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.5 t -129.2 172.71 11.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -56.15 -178.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -152.5 140.54 20.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.462 HG21 ' CH2' ' A' ' 25' ' ' TRP . 41.2 m -38.55 149.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -104.01 140.62 37.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.5 HD21 ' HB ' ' A' ' 144' ' ' ILE . 0.8 OUTLIER -42.33 -62.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.708 ' HA ' HD12 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -45.08 -28.68 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 24' ' ' GLN . 4.1 tt0 -78.23 -60.52 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.403 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -38.27 -32.49 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.5 mt -73.15 -40.72 64.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 21' ' ' GLU . 52.2 mt-30 -54.17 -21.25 8.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.981 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.462 ' CH2' HG21 ' A' ' 17' ' ' THR . 50.9 m0 -71.62 -23.57 61.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -70.8 -41.75 71.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -48.85 -60.33 2.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.8 m -135.18 149.53 49.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.507 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 12.9 tp -62.28 -49.34 76.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -41.93 -50.71 4.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HE2' ' OE1' ' A' ' 24' ' ' GLN . 12.2 mttp -46.96 -36.81 8.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 42' ' ' PHE . 47.0 tp -71.42 -66.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 mt -47.22 -48.76 24.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -43.18 -50.83 6.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -72.98 130.36 40.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -55.43 -57.41 12.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -50.58 -57.93 7.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.32 -45.56 74.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.0 tp -58.48 -61.64 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.34 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.76 -50.28 5.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.7 p -64.4 -46.68 82.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.408 ' HB2' HD21 ' A' ' 32' ' ' LEU . 32.5 t80 -51.74 -51.81 53.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.528 ' HG2' HD13 ' A' ' 55' ' ' LEU . 35.5 mtpt -49.62 -62.51 1.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.7 t -42.83 -52.12 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.407 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 55.8 t80 -44.83 -37.47 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.583 HD23 ' HA ' ' A' ' 52' ' ' GLU . 10.6 mp -75.04 -51.36 13.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -40.14 -40.39 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 t -71.19 -42.97 68.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.52 -6.93 55.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 64.15 36.2 9.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -129.77 32.06 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.828 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.583 ' HA ' HD23 ' A' ' 46' ' ' LEU . 20.4 tt0 -68.93 -29.97 68.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.413 ' HB2' ' HB3' ' A' ' 91' ' ' LYS . 4.2 pt-20 -48.28 -37.55 16.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.49 ' O ' HG21 ' A' ' 122' ' ' ILE . 4.3 m-20 -56.99 -37.85 72.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.662 HD22 HD11 ' A' ' 59' ' ' ILE . 1.3 tt -80.68 -44.08 19.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -45.05 -49.31 11.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -54.68 -37.94 66.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -66.73 -60.54 2.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.662 HD11 HD22 ' A' ' 55' ' ' LEU . 23.9 mt -48.49 -48.51 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.84 -46.33 78.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 98.7 m -48.08 -60.02 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -53.31 -42.46 66.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -65.07 -21.3 66.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.537 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.2 t80 -86.42 -28.53 23.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -66.83 -35.21 79.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -81.47 21.86 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.53 HG22 ' HG3' ' A' ' 73' ' ' MET . 22.3 mt -95.76 108.27 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.58 -24.59 21.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -57.98 132.05 83.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.664 0.745 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -29.38 24.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.602 2.201 . . . . 0.0 112.4 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.422 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -84.88 -40.33 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.51 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -66.43 -50.32 63.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.53 ' HG3' HG22 ' A' ' 67' ' ' ILE . 8.3 mtp -43.92 -37.51 2.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.24 -57.93 2.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 4.1 mm-40 -51.8 -59.45 4.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 19.1 tptm -48.76 -43.45 37.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.483 ' HB2' ' HE2' ' A' ' 64' ' ' TYR . . . -49.34 -53.47 22.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.088 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.481 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 8.1 ptmt -57.7 -40.34 79.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.481 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 21.4 mt-30 -52.75 -54.58 31.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.4 mt -56.6 -30.38 31.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.612 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -77.32 -43.78 31.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.934 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.5 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.9 mt-10 -67.13 -8.55 31.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.862 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 19.6 tt0 -106.12 -52.16 2.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -100.35 -54.19 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.56 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.2 mm -79.84 27.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.706 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -106.65 154.55 20.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.469 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 51.5 m -58.43 133.2 55.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 38.26 31.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.862 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -49.84 161.01 0.57 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.7 . . . . 0.0 111.064 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.601 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 52.8 Cg_endo -69.9 -28.8 24.15 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.596 2.197 . . . . 0.0 112.311 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 53' ' ' GLU . 7.5 mtpt -125.18 17.83 8.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.632 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 41.8 tt0 -43.07 98.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.413 HG23 HG12 ' A' ' 95' ' ' ILE . 29.3 m -54.89 -178.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -95.7 97.47 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.44 HG23 HD11 ' A' ' 122' ' ' ILE . 2.5 pt -146.55 111.68 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.17 163.33 0.23 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -51.57 -38.37 54.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.401 ' O ' HG12 ' A' ' 102' ' ' ILE . 12.5 t80 -47.84 -69.68 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.2 m -60.54 -50.51 73.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 104' ' ' MET . 0.1 OUTLIER -44.47 -49.61 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.96 -47.2 81.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.45 ' HA ' ' HD2' ' A' ' 105' ' ' LYS . 36.6 mm -42.64 -67.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.184 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.9 m -39.31 -52.33 2.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.406 ' HG3' ' O ' ' A' ' 100' ' ' LYS . 5.1 mtp -44.08 -53.54 6.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.45 ' HD2' ' HA ' ' A' ' 102' ' ' ILE . 11.2 mttt -63.54 -25.45 68.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -85.33 2.78 42.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.576 HD11 ' CD2' ' A' ' 81' ' ' TYR . 35.1 mt -88.97 -4.74 58.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.0 t -77.26 -56.64 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.495 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 7.1 mt-10 -124.69 51.22 4.64 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.8 Cg_endo -69.75 135.15 29.75 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.726 2.284 . . . . 0.0 112.353 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.488 ' O ' HD23 ' A' ' 112' ' ' LEU . 46.0 m -132.75 -66.9 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 111' ' ' SER . 33.0 mt -134.49 -45.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -91.08 23.11 3.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 p -59.28 -45.97 89.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.458 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 97.9 m-85 -105.46 34.68 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.94 -57.32 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 2.1 tpp -60.43 -61.99 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.82 -42.28 35.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.047 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 26.9 tt0 -61.04 -56.29 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -63.86 -28.24 69.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.422 ' CD ' ' C ' ' A' ' 121' ' ' ARG . 0.7 OUTLIER -64.72 -55.27 20.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.49 HG21 ' O ' ' A' ' 54' ' ' ASN . 10.0 mm -65.28 -41.77 92.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.196 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -57.13 -37.57 72.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.64 -18.89 62.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -86.23 -50.06 7.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.456 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 32.8 mtm -65.37 -10.12 30.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.689 ' O ' HD23 ' A' ' 131' ' ' LEU . 5.3 pt-20 -97.53 -24.38 15.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.408 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -111.43 -5.7 14.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 125' ' ' LEU . 10.9 t70 -112.4 -66.66 1.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 133' ' ' ARG . 16.5 m -77.83 -56.87 4.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.689 HD23 ' O ' ' A' ' 127' ' ' GLU . 4.3 tp -34.62 -54.09 0.97 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.671 0.748 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 54.3 Cg_endo -69.7 -27.64 26.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.691 2.261 . . . . 0.0 112.388 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 130' ' ' SER . 33.3 mtp180 -88.88 -13.0 40.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.83 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 130' ' ' SER . 22.0 t80 -82.79 -42.93 17.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.452 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 31.4 m -59.89 -33.56 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -63.34 -49.19 74.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 80.6 p -53.5 173.41 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 139' ' ' PHE . 2.2 tt0 -71.76 -39.25 70.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 138' ' ' GLU . 98.5 m-85 -35.91 -40.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.597 ' HA ' HD12 ' A' ' 143' ' ' LEU . 54.3 t80 -82.98 -52.88 6.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 145' ' ' SER . 98.6 mm-40 -45.52 -32.81 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -79.81 -28.3 40.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 140' ' ' TYR . 40.7 mt -68.2 -36.32 79.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.5 ' HB ' HD21 ' A' ' 19' ' ' LEU . 27.0 pt -98.05 -42.78 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 1.4 t -80.15 -50.09 10.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 145' ' ' SER . . . 37.32 -146.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.424 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 150.25 67.96 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.275 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 5.7 t 61.73 42.67 10.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 37.5 p -66.42 177.24 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.457 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 p -123.99 84.37 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 m 62.0 43.3 9.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.24 161.46 39.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.458 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 6' ' ' SER . 40.8 m -155.82 175.25 14.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 0.0 110.871 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 5' ' ' SER . 29.0 p 36.12 44.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.819 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' N ' ' HD2' ' A' ' 8' ' ' PRO . . . -73.45 -61.13 3.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HD2' ' N ' ' A' ' 7' ' ' GLY . 53.6 Cg_endo -69.8 170.97 15.37 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' A' ' 10' ' ' LYS . 6.4 tm-20 -139.41 164.33 30.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' O ' ' OE1' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -88.29 130.21 46.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.623 0.725 . . . . 0.0 110.85 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -165.41 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -146.8 179.46 7.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.078 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -138.47 173.68 11.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.0 t -173.11 173.75 3.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -53.66 156.67 2.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.437 ' HD3' ' CE1' ' A' ' 37' ' ' TYR . 42.5 mttm -95.69 -75.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.585 HG21 ' CH2' ' A' ' 25' ' ' TRP . 1.7 m -156.04 143.87 19.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.182 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -106.85 150.33 26.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.4 -60.06 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.686 ' HA ' HD12 ' A' ' 23' ' ' LEU . 84.5 m-20 -55.82 -13.18 1.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 24' ' ' GLN . 12.6 tt0 -87.69 -59.73 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.511 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -40.43 -33.68 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.686 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.1 mt -71.91 -38.2 69.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 21' ' ' GLU . 17.0 mt-30 -54.43 -23.81 17.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.67 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 48.2 m0 -71.76 -23.56 61.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -70.97 -43.05 68.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -59.44 -54.71 43.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 m -134.9 137.91 43.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.633 HD23 ' NE2' ' A' ' 123' ' ' HIS . 9.1 tp -61.31 -42.36 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -39.14 -62.9 0.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.831 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' ASP . 15.0 mmtm -37.72 -44.21 0.7 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.554 HD21 ' HB2' ' A' ' 42' ' ' PHE . 29.2 tp -62.37 -62.67 1.59 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.94 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.599 HD13 ' CE3' ' A' ' 58' ' ' TRP . 90.7 mt -49.88 -44.05 49.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -56.86 -44.99 82.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -73.54 118.66 16.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -51.29 -50.76 58.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.437 ' CE1' ' HD3' ' A' ' 16' ' ' LYS . 3.0 t80 -56.78 -57.73 11.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.19 -45.09 74.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 33' ' ' LEU . 37.6 tp -58.04 -63.6 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.347 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.19 -50.67 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 p -64.72 -45.34 86.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.56 ' O ' HD13 ' A' ' 46' ' ' LEU . 27.1 t80 -52.74 -45.34 66.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -56.17 -62.79 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 t -42.06 -46.24 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 134' ' ' PHE . 43.8 t80 -53.07 -38.14 62.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.661 HD23 ' HA ' ' A' ' 52' ' ' GLU . 10.9 mp -70.79 -50.54 34.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -41.33 -45.59 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -64.2 -39.96 95.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -81.69 -12.34 58.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 70.14 30.47 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.2 m -122.97 28.44 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.661 ' HA ' HD23 ' A' ' 46' ' ' LEU . 11.5 tt0 -66.67 -20.82 66.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.954 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.439 ' CB ' ' HB3' ' A' ' 91' ' ' LYS . 4.0 pt-20 -59.7 -33.06 71.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.55 ' O ' HG21 ' A' ' 122' ' ' ILE . 2.7 m-20 -57.4 -44.58 84.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.636 HD22 ' CD1' ' A' ' 59' ' ' ILE . 1.1 tt -78.67 -48.25 15.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -40.33 -56.15 2.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -50.76 -34.49 27.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.599 ' CE3' HD13 ' A' ' 33' ' ' LEU . 67.5 t90 -70.21 -58.78 3.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.636 ' CD1' HD22 ' A' ' 55' ' ' LEU . 36.4 mt -50.52 -47.38 27.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.55 -42.72 97.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.443 ' HB2' ' NE2' ' A' ' 119' ' ' GLN . 38.1 m -54.97 -51.54 65.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -63.78 -34.5 78.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -71.18 -34.68 71.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.798 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.598 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -67.36 -32.17 72.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 -179.786 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' O ' HD22 ' A' ' 112' ' ' LEU . 33.3 mttt -65.84 -25.17 67.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -73.13 0.6 11.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.552 HG21 ' HB3' ' A' ' 72' ' ' LYS . 59.3 mt -89.44 138.26 19.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.51 -24.56 6.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -56.67 139.78 75.77 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.705 0.764 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -24.19 30.1 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.698 2.266 . . . . 0.0 112.386 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.59 -54.88 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.552 ' HB3' HG21 ' A' ' 67' ' ' ILE . 3.6 tptm -55.61 -51.84 65.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.438 ' HG3' HG22 ' A' ' 67' ' ' ILE . 11.8 mtp -47.16 -31.18 3.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.832 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.43 -62.72 1.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.21 -58.77 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.818 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 40.3 tptt -44.72 -45.0 9.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.429 ' HB2' ' HE2' ' A' ' 64' ' ' TYR . . . -51.39 -50.6 59.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.499 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 3.6 pttp -57.84 -40.15 79.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.499 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 30.3 mt-30 -52.12 -55.79 18.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 24.8 mt -56.4 -30.12 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.6 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -75.75 -46.71 29.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.499 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.8 mt-10 -65.55 -8.37 19.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.867 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 10.2 tt0 -104.95 -53.35 2.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -100.18 -53.95 3.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.557 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.01 26.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.762 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -106.11 154.0 21.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.506 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 44.2 m -62.69 130.69 46.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 87' ' ' THR . 7.9 pt-20 46.01 27.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.867 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -51.88 162.1 0.83 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.584 0.707 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.618 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.6 Cg_endo -69.77 -29.17 24.23 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.396 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 93' ' ' VAL . 9.6 mtpp -124.54 20.19 8.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.451 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 29.3 tt0 -41.88 91.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.6 HG23 HG12 ' A' ' 95' ' ' ILE . 25.6 m -50.84 175.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -92.24 100.19 12.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.6 HG12 HG23 ' A' ' 93' ' ' VAL . 1.4 pt -148.8 113.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -52.52 162.05 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -50.47 -37.38 38.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -49.64 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.6 m -59.71 -50.07 75.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.083 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.69 -49.59 10.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.41 -47.23 84.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.4 mm -42.39 -66.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.501 ' OG1' ' HB2' ' A' ' 118' ' ' ALA . 99.1 m -40.72 -53.01 2.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.164 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.5 mtp -46.22 -56.59 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.4 mtpp -60.11 -18.82 50.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -92.64 6.53 47.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.484 HD11 ' CD2' ' A' ' 81' ' ' TYR . 37.4 mt -92.04 -1.79 57.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.425 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 15.3 t -79.34 -59.33 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.132 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.523 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 11.1 mt-10 -120.67 49.71 1.67 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.702 0.763 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.75 134.57 28.33 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.65 2.233 . . . . 0.0 112.365 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.447 ' O ' HD23 ' A' ' 112' ' ' LEU . 23.2 t -126.55 -72.61 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 111' ' ' SER . 70.9 mt -133.45 -40.67 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 t -92.81 21.24 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.816 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 p -57.38 -48.04 80.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.458 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 91.0 m-85 -101.86 41.93 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -56.14 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.402 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 2.2 tpp -59.48 -66.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.501 ' HB2' ' OG1' ' A' ' 103' ' ' THR . . . -45.91 -40.44 10.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 7.7 tt0 -61.32 -56.59 18.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 117' ' ' MET . 2.7 pttp -62.89 -30.96 71.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.492 ' CD ' ' C ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -62.8 -52.37 63.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.826 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.569 HG22 ' SD ' ' A' ' 126' ' ' MET . 3.9 mm -66.01 -51.51 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.633 ' NE2' HD23 ' A' ' 29' ' ' LEU . 9.4 t-80 -48.97 -43.34 39.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 128' ' ' LYS . . . -62.37 -22.38 66.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.402 ' HA ' ' HG2' ' A' ' 128' ' ' LYS . 0.2 OUTLIER -86.93 -57.36 3.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.569 ' SD ' HG22 ' A' ' 122' ' ' ILE . 2.3 ptt? -58.85 -9.79 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.799 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.0 pt-20 -96.6 -22.48 17.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 132' ' ' PRO . 23.6 pttt -109.12 -9.47 15.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -111.8 -65.36 1.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 133' ' ' ARG . 16.7 m -73.47 -60.54 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.799 HD23 ' O ' ' A' ' 127' ' ' GLU . 2.5 tp -33.0 -56.63 0.55 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.7 Cg_endo -69.72 -26.84 27.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.65 2.233 . . . . 0.0 112.403 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 130' ' ' SER . 80.8 mtt-85 -87.56 -12.43 45.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.568 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 11.9 t80 -85.2 -39.68 17.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.472 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 36.0 m -59.26 -35.34 57.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -66.51 -36.31 82.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 49.7 p -65.84 142.26 57.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.96 -38.47 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -39.62 -36.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.719 ' HA ' HD12 ' A' ' 143' ' ' LEU . 54.5 t80 -86.45 -47.24 9.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 145' ' ' SER . 72.1 mm-40 -48.85 -34.75 13.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -77.54 -24.59 49.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 140' ' ' TYR . 48.9 mt -70.96 -32.43 69.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.511 HG22 ' HB3' ' A' ' 22' ' ' ALA . 23.9 pt -102.31 -40.96 7.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 23.0 t -65.35 -37.17 86.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -45.85 172.4 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 93.0 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.768 2.312 . . . . 0.0 112.317 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 34.8 t -174.39 114.47 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.4 p -110.19 178.17 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -144.88 114.34 7.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -121.41 171.39 8.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.03 -164.57 15.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.539 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 p -121.8 102.89 8.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.805 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 m -87.75 99.85 12.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.825 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.88 176.07 39.03 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.396 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 9' ' ' GLU . 53.5 Cg_endo -69.8 -175.2 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.727 2.284 . . . . 0.0 112.311 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.424 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 16.6 mp0 -36.93 123.9 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.76 137.02 44.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.5 0.667 . . . . 0.0 110.985 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 170.74 15.9 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.22 77.76 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.068 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.79 -176.6 4.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.6 p -103.57 178.44 4.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.079 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.419 ' C ' ' HG2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -161.99 177.22 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.419 ' HG2' ' C ' ' A' ' 15' ' ' GLN . 1.4 mmmp? -146.29 173.89 11.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.473 HG21 ' CH2' ' A' ' 25' ' ' TRP . 96.4 m -109.96 140.46 43.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -100.6 145.67 28.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -44.08 -63.09 0.94 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.637 ' HA ' HD12 ' A' ' 23' ' ' LEU . 3.7 t70 -44.57 -24.18 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 24' ' ' GLN . 7.0 tt0 -82.01 -60.19 2.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.425 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -39.0 -34.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.7 mt -71.56 -38.95 70.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 21' ' ' GLU . 21.5 mt-30 -56.08 -23.28 32.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.511 ' CD1' ' HA ' ' A' ' 32' ' ' LEU . 48.5 m0 -69.62 -15.59 63.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.449 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 15.9 mtp-105 -80.5 -31.64 37.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -62.84 -58.89 5.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 t -135.66 127.13 28.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.42 HD11 ' CE2' ' A' ' 42' ' ' PHE . 4.2 tp -51.91 -30.97 26.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -54.27 -52.83 60.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.877 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HE2' ' O ' ' A' ' 24' ' ' GLN . 9.0 mtmm -52.75 -27.58 18.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.511 ' HA ' ' CD1' ' A' ' 25' ' ' TRP . 26.3 tp -78.34 -50.41 11.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.8 mt -60.26 -42.52 95.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -54.56 -45.84 73.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -71.94 117.76 13.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -47.54 -54.12 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.446 ' CE2' ' CD2' ' A' ' 143' ' ' LEU . 2.4 t80 -51.77 -60.59 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.93 -50.51 50.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.489 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.0 tp -54.16 -62.14 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -40.18 -59.85 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.0 p -59.98 -41.2 91.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 29' ' ' LEU . 23.6 t80 -55.77 -46.55 77.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.789 ' HG2' HD13 ' A' ' 55' ' ' LEU . 38.7 mtpt -55.01 -66.19 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' LYS . 11.9 t -38.13 -53.94 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -41.95 -45.74 3.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.817 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' GLU . 89.1 mt -63.28 -56.31 17.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.422 ' HG2' ' CD ' ' A' ' 52' ' ' GLU . 29.4 mtmt -39.6 -40.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.954 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -70.35 -39.24 74.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' LEU . 15.0 mm-40 -85.55 2.61 44.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 63.32 30.38 15.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.408 ' C ' ' HB3' ' A' ' 46' ' ' LEU . 19.8 m -124.91 30.29 5.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.786 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.422 ' CD ' ' HG2' ' A' ' 47' ' ' LYS . 2.8 tt0 -71.76 -22.2 61.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -61.64 -36.23 80.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -52.2 -51.24 59.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.789 HD13 ' HG2' ' A' ' 43' ' ' LYS . 1.2 tt -66.73 -43.48 84.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -45.07 -58.4 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.444 ' CB ' HG11 ' A' ' 93' ' ' VAL . 36.2 t80 -48.3 -37.98 17.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -66.39 -60.43 2.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.695 HD11 HD22 ' A' ' 55' ' ' LEU . 38.2 mt -46.54 -43.73 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.56 92.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 62.1 m -48.4 -56.59 7.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -59.76 -40.3 87.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -66.15 -19.04 65.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.478 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 2.3 t80 -86.44 -34.4 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -60.57 -33.21 72.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -81.6 16.69 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.559 HG22 ' HG3' ' A' ' 73' ' ' MET . 35.1 mt -97.85 112.33 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.11 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.78 -34.58 11.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 m -41.62 133.7 2.19 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.626 0.727 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -24.72 29.32 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.675 2.25 . . . . 0.0 112.369 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -94.3 -34.78 12.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.065 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.477 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 2.9 tptt -70.57 -46.66 63.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.559 ' HG3' HG22 ' A' ' 67' ' ' ILE . 13.3 mtp -49.92 -37.02 29.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.47 -56.51 3.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 17.8 mm-40 -52.99 -52.92 56.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.472 ' HG2' ' CD1' ' A' ' 67' ' ' ILE . 26.8 tptp -53.3 -45.47 68.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.75 -52.2 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -35.54 77.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -59.53 -48.82 80.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.429 ' CG1' ' HZ3' ' A' ' 76' ' ' LYS . 52.7 mt -64.61 -32.2 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.072 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.627 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -74.55 -43.33 56.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.526 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.5 mm-40 -66.18 -8.6 25.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.85 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 16.2 tt0 -106.36 -52.38 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 92' ' ' GLU . 60.6 m-85 -101.07 -55.14 2.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.742 HG22 ' HE2' ' A' ' 100' ' ' LYS . 1.2 mm -78.98 28.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.661 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.87 151.22 24.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.884 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.515 HG22 ' HG3' ' A' ' 88' ' ' GLU . 30.7 m -60.45 123.28 16.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.515 ' HG3' HG22 ' A' ' 87' ' ' THR . 28.0 mt-10 51.99 27.9 4.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.85 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -51.08 161.94 0.66 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.529 0.681 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.628 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 52.9 Cg_endo -69.77 -31.4 20.57 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.668 2.245 . . . . 0.0 112.3 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -123.57 19.03 9.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.973 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.659 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 7.9 tt0 -44.23 99.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.444 HG11 ' CB ' ' A' ' 57' ' ' PHE . 27.7 m -53.22 179.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.157 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -94.3 99.41 11.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.3 pt -145.54 111.31 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -48.63 157.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -47.28 -42.64 21.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.408 ' O ' HG12 ' A' ' 102' ' ' ILE . 15.6 t80 -47.72 -63.22 1.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.4 m -65.79 -54.14 31.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.742 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -43.24 -42.38 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.68 -44.49 86.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 98' ' ' PHE . 19.3 mm -42.95 -64.2 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.2 m -42.02 -53.71 3.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.1 mtp -48.74 -55.51 11.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -61.25 -12.34 12.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -102.15 7.04 41.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.591 HD11 ' CD2' ' A' ' 81' ' ' TYR . 64.2 mt -91.33 2.64 56.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.474 HG13 ' HG2' ' A' ' 109' ' ' GLU . 1.4 p -84.41 -42.76 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.543 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 0.2 OUTLIER -134.84 48.25 2.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.567 0.699 . . . . 0.0 110.86 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.65 126.4 13.34 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -123.05 -67.84 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.9 mt -133.71 -43.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.7 m -87.82 19.61 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.405 ' HB2' ' CD1' ' A' ' 115' ' ' PHE . 4.3 m -47.18 -57.93 4.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.411 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 13.1 m-85 -101.96 40.61 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.815 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -64.65 -42.07 95.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 6.5 tpp -76.28 -57.26 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.97 -41.11 64.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.029 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.411 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 40.1 tt0 -61.64 -54.18 46.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.937 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -65.2 -31.1 72.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.509 ' CD ' ' C ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -64.14 -57.06 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.428 ' HA ' HD13 ' A' ' 122' ' ' ILE . 7.5 mm -62.33 -43.81 98.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -56.73 -37.65 71.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.37 -21.58 62.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.409 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -83.01 -42.41 17.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 46.2 mtm -71.81 -10.61 60.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.816 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.834 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.4 pt-20 -98.78 -24.75 14.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.45 -4.71 15.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 44.7 t0 -116.17 -65.29 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 134' ' ' PHE . 16.7 m -76.55 -56.83 4.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.834 HD23 ' O ' ' A' ' 127' ' ' GLU . 6.8 tp -35.27 -54.58 1.13 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.647 0.737 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 54.0 Cg_endo -69.71 -25.82 28.44 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.62 2.213 . . . . 0.0 112.363 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 130' ' ' SER . 47.7 mtt180 -91.36 -12.5 34.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 130' ' ' SER . 29.3 t80 -85.45 -35.12 21.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.472 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 18.2 m -68.64 -32.36 54.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -67.5 -40.02 85.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.776 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 59.6 p -62.14 176.23 0.61 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 140' ' ' TYR . 1.6 tt0 -72.34 -42.74 65.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 138' ' ' GLU . 95.3 m-85 -35.3 -35.96 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.689 ' HA ' HD12 ' A' ' 143' ' ' LEU . 55.2 t80 -86.31 -49.14 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -48.99 -32.82 9.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -77.62 -25.27 49.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 140' ' ' TYR . 41.4 mt -74.46 -37.73 63.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.589 HD13 ' CE2' ' A' ' 140' ' ' TYR . 34.1 pt -99.25 -42.72 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.049 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.497 ' N ' HG13 ' A' ' 144' ' ' ILE . 1.5 m -105.02 37.31 2.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -67.2 -146.54 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 84.05 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 38.5 m -57.84 160.39 4.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.8 p -175.03 140.08 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -84.41 -51.62 6.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.7 t -113.84 134.98 54.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.793 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.39 -166.57 24.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 m -159.47 116.99 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -168.81 151.18 4.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.821 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.45 111.76 0.51 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -172.44 0.57 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.712 2.275 . . . . 0.0 112.385 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -88.36 -177.81 5.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -121.71 154.29 60.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.665 0.745 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 -171.01 0.43 Allowed 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.625 2.217 . . . . 0.0 112.419 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.46 125.12 50.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 14' ' ' THR . 11.3 tptt -173.95 165.21 4.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.464 ' C ' ' O ' ' A' ' 13' ' ' LYS . 10.7 t -32.78 143.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -128.89 -42.14 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -127.81 -73.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.509 HG21 ' CH2' ' A' ' 25' ' ' TRP . 1.1 m -143.4 150.36 38.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -117.91 158.58 24.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -48.92 -60.18 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.585 ' HA ' HD12 ' A' ' 23' ' ' LEU . 7.9 t70 -56.0 -13.89 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 24' ' ' GLN . 8.5 tp10 -89.6 -57.76 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.46 -32.68 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.9 mt -73.71 -39.81 64.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' GLU . 14.4 mt-30 -55.2 -21.14 12.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.51 ' CE3' ' CD1' ' A' ' 32' ' ' LEU . 52.8 m0 -71.21 -23.23 61.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 12.6 mtp-105 -73.79 -35.36 64.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -55.64 -57.1 13.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.7 t -135.22 132.58 38.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.5 tp -52.21 -35.98 50.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.6 -60.51 3.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -39.19 -34.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.51 ' CD1' ' CE3' ' A' ' 25' ' ' TRP . 30.9 tp -72.64 -64.87 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.2 mt -48.95 -47.47 43.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -50.11 -47.3 54.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -72.83 127.29 32.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -56.77 -50.99 70.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.57 ' CE2' HD23 ' A' ' 143' ' ' LEU . 2.4 t80 -53.5 -57.62 10.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.415 ' CA ' ' CH2' ' A' ' 25' ' ' TRP . . . -59.18 -42.11 97.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.43 -61.97 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.07 -49.54 6.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.046 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.8 m -68.31 -44.48 75.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -53.45 -40.98 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.651 ' HG2' HD13 ' A' ' 55' ' ' LEU . 37.6 mtpt -62.94 -64.65 0.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.842 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.6 t -43.45 -38.03 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.801 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.495 ' CD2' HD12 ' A' ' 46' ' ' LEU . 26.2 t80 -58.59 -41.17 85.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.829 HD23 ' HA ' ' A' ' 52' ' ' GLU . 7.3 mp -68.32 -49.81 57.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.436 ' HG3' ' CD ' ' A' ' 52' ' ' GLU . 36.0 mtpt -39.81 -40.73 1.01 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.892 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.1 t -67.19 -42.8 83.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 46' ' ' LEU . 5.2 mm-40 -82.04 -3.92 55.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 62.23 30.48 17.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.7 m -122.34 30.25 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.829 ' HA ' HD23 ' A' ' 46' ' ' LEU . 13.4 tt0 -74.51 -22.5 59.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 91' ' ' LYS . 3.9 pt-20 -53.08 -37.37 61.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.426 ' O ' HG21 ' A' ' 122' ' ' ILE . 2.0 m-20 -57.65 -39.46 77.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.666 HD22 HD11 ' A' ' 59' ' ' ILE . 1.4 tt -73.52 -50.14 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -40.93 -53.32 2.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -50.73 -37.93 44.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 55.7 t90 -67.31 -60.09 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.666 HD11 HD22 ' A' ' 55' ' ' LEU . 22.9 mt -47.28 -45.33 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.81 -44.65 95.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.064 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 63.3 m -47.76 -56.88 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.816 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -56.8 -47.23 80.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.81 -21.36 60.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.512 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.5 t80 -83.77 -32.85 25.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.967 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -67.06 -34.92 78.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.8 24.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.502 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 34.3 mt -91.05 98.01 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 22.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -109.06 130.05 23.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.665 0.745 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -14.49 36.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.732 2.288 . . . . 0.0 112.328 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.0 -48.61 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.042 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.502 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -60.67 -42.4 97.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.452 ' HG3' ' CG2' ' A' ' 67' ' ' ILE . 5.1 mtp -49.4 -39.8 33.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -89.33 -57.84 2.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -49.85 -59.58 3.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.429 ' HB2' ' HG3' ' A' ' 72' ' ' LYS . 27.7 tptt -47.58 -49.78 25.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -39.72 -50.47 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 0.1 OUTLIER -62.96 -35.76 81.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 76' ' ' LYS . 49.8 mt-30 -57.93 -54.34 48.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.3 mt -58.62 -28.91 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.683 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.5 OUTLIER -77.24 -46.63 22.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.497 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 14.7 mm-40 -65.94 -8.39 22.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.906 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 12.8 tt0 -104.83 -52.69 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -100.84 -53.44 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.545 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.29 26.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.547 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.1 OUTLIER -105.51 149.24 26.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.473 HG22 ' HG3' ' A' ' 88' ' ' GLU . 81.4 m -57.07 129.84 43.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.473 ' HG3' HG22 ' A' ' 87' ' ' THR . 9.9 mt-10 46.09 32.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.906 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -53.38 159.9 2.04 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.646 0.736 . . . . 0.0 111.08 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.0 Cg_endo -69.82 -31.56 20.03 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 53' ' ' GLU . 8.3 mtpp -123.39 17.37 9.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.755 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 35.1 tt0 -42.19 101.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.4 m -58.93 177.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -91.44 100.6 13.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.51 112.91 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.55 164.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -52.05 -35.61 47.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -51.61 -70.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 29.3 m -59.15 -49.36 78.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.47 -51.92 14.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -56.96 -47.63 80.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.3 mm -42.82 -65.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.2 m -40.79 -55.16 2.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mtp -44.53 -56.84 3.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.864 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -59.99 -21.02 60.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -91.11 5.0 50.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.683 HD11 ' CD2' ' A' ' 81' ' ' TYR . 61.5 mt -90.49 -2.64 57.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.0 t -76.88 -57.99 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 1.7 pt-20 -124.93 51.02 4.6 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.623 0.725 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 52.8 Cg_endo -69.78 128.3 15.81 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.703 2.268 . . . . 0.0 112.321 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.8 m -123.51 -65.87 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 112' ' ' LEU . 12.1 mt -134.73 -45.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 91.4 p -88.03 21.64 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 6.4 p -55.73 -44.04 77.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -111.31 37.07 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.04 -41.58 95.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.417 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 4.1 tpp -77.23 -58.29 3.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.04 -41.02 33.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -63.01 -57.81 9.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 117' ' ' MET . 3.7 pttp -60.4 -31.35 70.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.433 ' CD ' ' C ' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -63.43 -53.44 52.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.426 HG21 ' O ' ' A' ' 54' ' ' ASN . 7.1 mm -68.22 -49.56 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -50.19 -40.11 46.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' A' ' 128' ' ' LYS . . . -69.46 -27.43 65.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.043 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -80.45 -30.14 37.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 64.7 mtm -80.81 -9.24 59.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.647 ' O ' HD23 ' A' ' 131' ' ' LEU . 2.8 pt-20 -97.91 -24.6 15.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 124' ' ' ALA . 3.0 pttp -110.93 -6.94 14.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 7.0 t70 -112.38 -65.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 133' ' ' ARG . 16.1 m -76.91 -58.34 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 127' ' ' GLU . 3.9 tp -34.06 -54.65 0.83 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.626 0.726 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.6 Cg_endo -69.78 -27.98 25.69 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.762 2.308 . . . . 0.0 112.31 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 130' ' ' SER . 71.4 mtt-85 -86.92 -13.55 44.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.467 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.4 t80 -84.34 -51.35 7.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.456 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 34.4 m -53.26 -25.6 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -70.59 -45.01 66.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 23.6 p -61.94 141.22 58.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.77 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 138' ' ' GLU . 0.2 OUTLIER -42.96 -36.94 1.71 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.91 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 138' ' ' GLU . 88.4 m-85 -37.28 -38.95 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.769 ' HA ' HD12 ' A' ' 143' ' ' LEU . 70.8 t80 -85.11 -48.23 9.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 145' ' ' SER . 99.0 mm-40 -50.27 -31.92 15.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -77.23 -28.4 53.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.769 HD12 ' HA ' ' A' ' 140' ' ' TYR . 23.6 mt -66.76 -34.29 77.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.471 HG13 ' N ' ' A' ' 145' ' ' SER . 29.4 pt -99.87 -40.6 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 19.7 t -67.38 -25.43 65.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -57.76 -153.47 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.505 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 88.41 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.719 2.279 . . . . 0.0 112.372 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 42.2 t -78.09 -61.15 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.897 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 150' ' ' GLY . 33.4 p -123.72 -39.63 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 149' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.562 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -77.03 89.6 3.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 m -40.66 -48.21 2.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.61 95.38 0.82 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.46 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t 68.21 41.71 1.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.353 . . . . 0.0 110.827 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 m -112.51 158.69 19.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' HA2' ' HD2' ' A' ' 8' ' ' PRO . . . 148.27 94.89 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD2' ' HA2' ' A' ' 7' ' ' GLY . 53.8 Cg_endo -69.75 -173.51 0.73 Allowed 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.685 2.257 . . . . 0.0 112.325 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -57.84 152.48 15.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -100.07 135.3 20.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.552 0.691 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.9 -174.05 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.61 2.207 . . . . 0.0 112.349 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.63 170.08 22.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -145.46 177.55 8.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.4 t -110.3 170.02 8.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -76.35 177.22 7.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -129.14 169.85 14.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.511 HG21 ' CH2' ' A' ' 25' ' ' TRP . 24.9 m -80.53 153.02 28.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -104.42 152.04 22.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -51.43 -52.27 47.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.974 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.667 ' HA ' HD12 ' A' ' 23' ' ' LEU . 8.7 m-20 -60.8 -17.47 49.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 24' ' ' GLN . 9.3 tt0 -85.09 -58.35 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.53 -35.55 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.092 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.667 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.0 mt -70.56 -37.35 73.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' GLU . 30.8 mt-30 -56.37 -23.46 37.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.511 ' CH2' HG21 ' A' ' 17' ' ' THR . 48.2 m0 -70.62 -16.57 62.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 11.4 mtp-105 -78.83 -37.72 39.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -54.12 -58.3 7.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.0 m -135.47 132.14 37.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.8 tp -49.43 -42.11 41.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -45.84 -62.98 1.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.792 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 30' ' ' ASP . 4.2 mtpm? -36.25 -35.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.484 HD13 ' HB3' ' A' ' 25' ' ' TRP . 27.7 tp -74.16 -60.72 2.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.589 HD13 ' CE3' ' A' ' 58' ' ' TRP . 65.6 mt -51.22 -46.59 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -52.8 -45.88 67.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -71.76 125.38 27.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -55.79 -48.13 75.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -58.69 -57.94 10.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.87 -39.35 91.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.499 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.2 tp -64.14 -63.37 1.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 110.952 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.27 -51.92 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.2 m -67.14 -44.51 79.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.459 ' CE2' HD21 ' A' ' 33' ' ' LEU . 30.6 t80 -52.4 -46.83 66.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.607 ' HG2' HD13 ' A' ' 55' ' ' LEU . 36.4 mtpt -54.23 -64.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.3 t -39.46 -52.66 2.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.532 ' CD2' HD12 ' A' ' 46' ' ' LEU . 10.7 t80 -44.03 -40.2 4.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.532 HD12 ' CD2' ' A' ' 45' ' ' PHE . 10.1 mp -75.23 -50.96 14.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -40.62 -41.83 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.0 t -69.33 -39.65 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 46' ' ' LEU . 5.0 mm-40 -79.44 -9.19 59.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 68.86 31.53 4.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.9 m -127.54 31.36 5.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.785 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.463 ' HA ' HD23 ' A' ' 46' ' ' LEU . 10.2 tt0 -74.06 -23.55 59.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.476 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 8.6 pm0 -52.58 -35.65 54.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.476 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 12.9 m-20 -57.04 -41.62 78.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.681 HD22 ' CD1' ' A' ' 59' ' ' ILE . 1.1 tt -72.9 -44.01 61.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -45.99 -53.3 10.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.544 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 23.1 t80 -52.0 -32.29 33.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.589 ' CE3' HD13 ' A' ' 33' ' ' LEU . 33.3 t90 -73.62 -61.33 1.87 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.681 ' CD1' HD22 ' A' ' 55' ' ' LEU . 31.9 mt -48.37 -45.63 13.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.05 -52.2 66.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.059 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 57.2 m -44.9 -61.1 1.74 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -51.88 -43.1 63.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' A' ' 66' ' ' LYS . 7.3 t70 -64.14 -22.95 67.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.814 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.586 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -83.88 -21.67 31.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.81 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -66.88 -34.59 78.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 63' ' ' ASP . 12.3 ptpt -82.8 25.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.547 HG22 ' HG3' ' A' ' 73' ' ' MET . 29.1 mt -102.17 108.46 23.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.03 -32.69 13.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 m -45.39 133.24 5.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.657 0.742 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -21.9 32.74 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.665 2.244 . . . . 0.0 112.352 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.501 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -95.23 -35.94 11.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.483 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -70.83 -46.94 61.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.547 ' HG3' HG22 ' A' ' 67' ' ' ILE . 8.9 mtp -48.28 -38.28 18.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.7 -54.82 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.111 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 12.3 mm-40 -52.98 -55.94 19.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 17.4 tptm -54.33 -42.66 70.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.78 -50.28 45.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.56 -35.88 81.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -56.45 -49.68 73.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.2 mt -63.58 -30.81 50.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.638 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -76.45 -38.91 54.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 16.3 mm-40 -72.59 -11.04 60.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.598 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 17.9 tt0 -106.11 -39.91 5.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.412 ' C ' ' H ' ' A' ' 86' ' ' GLN . 79.2 m-85 -110.94 -57.73 2.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.564 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.3 mm -77.88 28.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.571 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -108.27 153.41 23.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.974 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.513 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 23.4 m -60.11 132.06 52.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.11 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.479 ' HG2' HG22 ' A' ' 87' ' ' THR . 18.5 pt-20 44.2 27.47 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.598 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -48.32 157.14 0.71 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.465 0.65 . . . . 0.0 111.164 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.0 Cg_endo -69.75 -26.14 27.91 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.743 2.295 . . . . 0.0 112.305 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -124.36 17.19 9.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.421 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 2.7 tp10 -38.95 127.16 1.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.452 HG23 HG12 ' A' ' 95' ' ' ILE . 16.1 m -89.79 173.05 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -85.89 98.52 10.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.452 HG12 HG23 ' A' ' 93' ' ' VAL . 1.7 pt -150.43 111.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -52.35 161.38 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -50.03 -36.28 28.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -50.94 -66.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 51.3 m -64.09 -48.53 75.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.09 -48.55 22.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.936 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -57.83 -45.59 85.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 31.0 mm -43.01 -66.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 97.0 m -40.25 -55.27 2.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.5 mtp -44.56 -57.89 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -59.54 -21.41 60.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -90.56 5.89 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.524 HD11 ' CD2' ' A' ' 81' ' ' TYR . 42.1 mt -91.58 -2.14 57.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.4 t -77.98 -58.32 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.513 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 7.1 mt-10 -123.26 50.45 3.1 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.671 0.748 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.9 Cg_endo -69.75 139.67 40.84 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.72 2.28 . . . . 0.0 112.371 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.0 m -133.67 -69.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.4 mt -133.02 -44.99 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.7 p -86.28 18.75 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.0 m -48.49 -53.67 17.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -102.61 40.12 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.51 -40.26 92.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 8.0 tpp -78.37 -59.04 2.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.544 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -50.05 -39.57 42.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.064 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.436 ' NE2' ' CD1' ' A' ' 58' ' ' TRP . 7.2 tp60 -62.83 -56.82 14.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -63.0 -29.78 71.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.481 ' CD ' ' C ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -64.3 -56.15 16.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 122' ' ' ILE . 11.4 mm -65.62 -41.78 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -55.8 -38.31 69.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 127' ' ' GLU . . . -69.97 -19.38 63.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -86.22 -53.68 4.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.455 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 29.9 mtm -61.03 -10.41 5.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.814 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.581 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.8 pt-20 -97.67 -23.9 15.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.434 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -111.86 -4.66 14.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.6 t0 -114.07 -65.75 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 133' ' ' ARG . 8.8 p -78.72 -55.55 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.619 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.6 tp -36.72 -53.23 1.86 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.615 0.721 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.8 Cg_endo -69.68 -25.34 29.06 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.39 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 130' ' ' SER . 14.1 mmt180 -91.29 -13.26 32.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.468 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 23.1 t80 -84.1 -41.55 17.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.501 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 29.3 m -60.52 -37.68 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -64.74 -46.68 81.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 17.4 p -58.27 139.29 55.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 139' ' ' PHE . 3.6 mt-10 -42.19 -38.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 138' ' ' GLU . 95.7 m-85 -37.01 -36.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.792 ' HA ' HD12 ' A' ' 143' ' ' LEU . 48.4 t80 -90.39 -42.87 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.442 ' O ' ' CB ' ' A' ' 145' ' ' SER . 77.1 mm-40 -51.76 -33.08 33.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -75.58 -23.86 56.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.792 HD12 ' HA ' ' A' ' 140' ' ' TYR . 38.3 mt -71.85 -35.36 69.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.455 HG13 ' N ' ' A' ' 145' ' ' SER . 25.6 pt -98.54 -41.79 10.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.455 ' N ' HG13 ' A' ' 144' ' ' ILE . 31.1 p -65.88 -41.18 91.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -43.9 168.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 85.69 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.7 2.267 . . . . 0.0 112.371 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 49.5 m -132.41 -58.95 0.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.4 t -173.81 164.3 4.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.472 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.398 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 t -165.92 165.22 18.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 0.0 110.834 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -146.04 175.98 10.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.92 -156.47 18.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m 55.09 43.28 29.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.889 0.375 . . . . 0.0 110.951 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 m -121.05 155.47 34.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.92 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.24 118.39 2.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -7.03 20.02 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.757 2.305 . . . . 0.0 112.32 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -61.69 103.45 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -140.85 134.49 14.89 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.624 0.726 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -170.72 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.644 2.229 . . . . 0.0 112.343 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.85 151.46 20.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -169.41 175.77 5.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 t -142.55 137.84 30.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -123.98 -179.98 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -149.35 177.58 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.8 HG21 ' CH2' ' A' ' 25' ' ' TRP . 87.2 m -125.02 136.26 53.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -100.99 161.48 13.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.89 -63.0 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.605 ' HA ' HD12 ' A' ' 23' ' ' LEU . 3.3 t70 -52.66 -16.14 0.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 24' ' ' GLN . 3.1 tp10 -85.89 -57.15 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.428 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -40.33 -33.88 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.9 mt -72.58 -39.82 67.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 21' ' ' GLU . 17.6 mt-30 -56.13 -19.44 13.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.8 ' CH2' HG21 ' A' ' 17' ' ' THR . 49.6 m0 -73.03 -21.16 60.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.524 ' HG2' HG11 ' A' ' 135' ' ' VAL . 74.4 mtp180 -78.92 -34.33 44.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.82 -56.02 27.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 t -134.83 127.22 30.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.849 HD21 ' SD ' ' A' ' 126' ' ' MET . 6.3 tp -51.98 -34.43 42.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -56.81 -42.83 80.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -57.6 -27.97 63.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.465 HD13 ' HB3' ' A' ' 25' ' ' TRP . 24.0 tp -80.1 -53.23 6.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.9 mt -56.76 -52.53 64.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.485 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -45.8 -28.28 1.03 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.979 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.485 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 5.2 m120 -91.24 127.91 36.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -60.9 -45.85 92.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -59.49 -58.81 6.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.41 -37.95 89.31 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' ALA . 49.6 tp -62.37 -64.75 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -37.74 -57.75 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.3 t -59.35 -42.94 92.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.811 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -52.99 -38.59 62.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.598 ' HG2' HD13 ' A' ' 55' ' ' LEU . 36.3 mtpt -69.78 -63.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.9 t -44.08 -37.96 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CE2' ' OE2' ' A' ' 49' ' ' GLU . 23.7 t80 -61.65 -47.83 83.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.925 HD23 ' OE2' ' A' ' 49' ' ' GLU . 34.3 mt -55.54 -39.71 70.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -53.49 -36.34 61.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m -68.42 -38.63 81.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.925 ' OE2' HD23 ' A' ' 46' ' ' LEU . 2.5 pt-20 -90.5 -5.92 55.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 68.02 25.7 7.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -111.16 25.64 11.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.508 ' HA ' HD13 ' A' ' 46' ' ' LEU . 2.7 tt0 -72.04 -14.56 61.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.412 ' O ' HG12 ' A' ' 93' ' ' VAL . 3.6 pt-20 -68.5 -29.12 67.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.59 ' O ' HG21 ' A' ' 122' ' ' ILE . 6.7 m-20 -65.82 -47.82 73.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.598 HD13 ' HG2' ' A' ' 43' ' ' LYS . 0.8 OUTLIER -65.51 -49.42 69.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -38.89 -59.13 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.68 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 15.7 t80 -44.76 -37.87 4.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 48.1 t90 -68.83 -67.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.579 ' CD1' HD22 ' A' ' 55' ' ' LEU . 33.7 mt -39.53 -47.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.01 -50.8 72.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 55.7 m -43.52 -53.57 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.75 -46.42 87.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -61.03 -20.88 63.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.586 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -86.38 -30.69 21.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.86 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -67.29 -30.4 70.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -82.75 19.45 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.499 HG22 ' HG3' ' A' ' 73' ' ' MET . 43.2 mt -93.74 105.82 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -84.0 -25.13 30.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.406 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 2.1 m -62.52 139.26 96.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -46.02 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.76 -60.6 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.477 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -44.39 -57.33 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.499 ' HG3' HG22 ' A' ' 67' ' ' ILE . 12.9 mtp -39.53 -36.01 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.8 -61.44 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.091 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -50.45 -56.68 10.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 41.0 tptt -50.68 -44.5 57.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.548 ' HB2' ' HE2' ' A' ' 64' ' ' TYR . . . -48.53 -50.43 31.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.053 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.497 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 4.7 pttp -60.35 -38.84 85.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.497 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 32.0 mt-30 -53.27 -54.81 30.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.2 mt -57.5 -25.88 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.606 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -80.25 -45.38 18.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.486 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 11.0 mt-10 -66.71 -8.26 26.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.898 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 12.8 tt0 -104.98 -52.88 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -100.51 -53.62 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.549 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -78.9 25.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.621 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.53 153.8 21.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.513 HG22 ' HG2' ' A' ' 88' ' ' GLU . 22.9 m -58.24 135.49 57.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.513 ' HG2' HG22 ' A' ' 87' ' ' THR . 19.6 pt-20 38.53 31.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.898 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -51.62 160.74 0.97 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.672 0.749 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.589 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.5 Cg_endo -69.78 -32.94 17.48 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -121.37 13.32 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.823 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 32.7 tt0 -39.51 99.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.467 HG23 HG12 ' A' ' 95' ' ' ILE . 27.3 m -57.81 -179.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -95.49 100.02 11.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.467 HG12 HG23 ' A' ' 93' ' ' VAL . 0.9 OUTLIER -144.28 114.25 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -51.79 161.5 0.53 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -50.29 -38.24 40.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.805 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -49.76 -68.74 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.438 HG21 ' HG3' ' A' ' 121' ' ' ARG . 71.4 m -60.12 -51.34 70.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.77 -50.58 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.33 -49.26 77.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 22.2 mm -41.84 -62.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 95.1 m -43.44 -52.35 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.0 mtp -48.16 -55.28 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -61.36 -20.28 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -91.55 6.65 44.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.482 HD11 ' CD2' ' A' ' 81' ' ' TYR . 36.9 mt -92.76 -2.68 55.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.1 t -77.78 -58.31 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 4.4 mm-40 -123.26 50.94 3.38 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.735 0.779 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.1 Cg_endo -69.71 136.62 33.59 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.3 t -130.81 -67.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.3 mt -134.13 -44.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.6 p -87.83 20.43 3.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.2 p -57.42 -36.88 71.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -116.42 37.55 3.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -69.64 -44.14 71.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 4.3 tpp -72.8 -58.71 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.68 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -50.73 -45.31 58.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -58.07 -57.18 13.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -27.84 69.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.438 ' HG3' HG21 ' A' ' 99' ' ' THR . 0.1 OUTLIER -65.31 -53.35 45.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.59 HG21 ' O ' ' A' ' 54' ' ' ASN . 10.6 mm -68.2 -47.67 77.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.711 ' CE1' HD23 ' A' ' 29' ' ' LEU . 7.7 t-80 -53.22 -36.0 60.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 128' ' ' LYS . . . -71.54 -21.99 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.055 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.5 -45.5 10.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.849 ' SD ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -66.1 -9.57 32.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.834 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.933 ' O ' HD23 ' A' ' 131' ' ' LEU . 3.4 pt-20 -95.78 -22.06 17.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 124' ' ' ALA . 7.0 pttp -111.36 -9.96 14.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -106.85 -66.85 0.98 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 133' ' ' ARG . 98.7 p -79.04 -57.76 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.933 HD23 ' O ' ' A' ' 127' ' ' GLU . 3.3 tp -30.82 -55.33 0.39 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.627 0.727 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.607 ' O ' HG22 ' A' ' 135' ' ' VAL . 53.6 Cg_endo -69.66 -33.95 15.92 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.417 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 130' ' ' SER . 38.7 mtp85 -80.29 -13.17 59.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.555 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 21.9 t80 -86.84 -32.43 20.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 132' ' ' PRO . 35.0 m -70.62 -29.4 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 19.0 mtt85 -69.21 -41.75 76.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 86.7 p -61.25 165.25 4.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 139' ' ' PHE . 2.2 tt0 -62.53 -40.05 95.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 138' ' ' GLU . 97.5 m-85 -35.74 -41.32 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.796 ' HA ' HD12 ' A' ' 143' ' ' LEU . 63.7 t80 -84.71 -50.35 7.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.498 ' O ' ' CB ' ' A' ' 145' ' ' SER . 81.8 mm-40 -46.3 -33.73 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 2.7 pt-20 -76.56 -32.03 57.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.796 HD12 ' HA ' ' A' ' 140' ' ' TYR . 33.9 mt -61.96 -34.42 76.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.428 HG22 ' HB3' ' A' ' 22' ' ' ALA . 31.9 pt -100.9 -38.2 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 12.9 t -75.55 -53.89 7.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 46.31 -148.68 2.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 148' ' ' SER . 53.5 Cg_endo -69.77 163.63 37.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.258 . . . . 0.0 112.301 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 147' ' ' PRO . 14.1 m -34.21 137.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.6 m -166.32 158.87 14.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.944 0.402 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -57.51 11.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.55 ' HA ' HD12 ' A' ' 23' ' ' LEU . 10.2 t70 -54.9 -13.87 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 24' ' ' GLN . 6.0 tp10 -91.46 -58.28 2.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.17 -33.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.201 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.2 mt -72.64 -37.19 68.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' GLU . 34.7 mt-30 -54.43 -22.62 13.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.583 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 51.9 m0 -72.57 -23.56 60.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -69.32 -42.48 75.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.62 -59.09 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 m -130.13 132.6 46.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.486 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 7.1 tp -57.7 -42.14 83.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -39.39 -60.86 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -39.03 -41.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.524 ' CD1' ' CE3' ' A' ' 25' ' ' TRP . 28.2 tp -64.27 -66.32 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.502 HD13 ' CD2' ' A' ' 58' ' ' TRP . 70.3 mt -47.47 -47.65 27.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.984 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -52.92 -44.85 67.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -71.58 123.29 22.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -55.3 -45.04 76.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.416 ' CE2' HD23 ' A' ' 143' ' ' LEU . 2.1 t80 -61.74 -58.36 8.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.7 -40.48 88.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.01 -62.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.0 -50.64 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.081 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -67.16 -45.1 78.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -51.96 -45.82 64.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.609 ' HG2' HD13 ' A' ' 55' ' ' LEU . 35.8 mtpt -54.59 -64.46 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.9 t -41.29 -49.2 3.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -47.41 -49.98 23.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.495 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 89.8 mt -62.59 -53.3 56.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -39.96 -38.89 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.8 t -74.35 -39.02 63.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.548 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 23.3 mm-40 -86.62 18.72 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 35.5 p90 45.75 28.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.74 25.65 10.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.99 -19.21 63.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.0 pm0 -66.0 -25.68 67.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.443 ' C ' ' SD ' ' A' ' 126' ' ' MET . 21.2 m-20 -64.47 -47.27 79.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.68 HD22 HD11 ' A' ' 59' ' ' ILE . 1.2 tt -69.74 -43.66 71.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -44.18 -59.17 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.524 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 26.8 t80 -48.26 -34.04 9.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.502 ' CD2' HD13 ' A' ' 33' ' ' LEU . 55.2 t90 -70.03 -60.27 2.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.68 HD11 HD22 ' A' ' 55' ' ' LEU . 27.6 mt -48.58 -48.6 14.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.87 -47.86 79.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 58.8 m -46.83 -56.66 5.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -56.91 -44.15 82.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.95 -17.03 61.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.582 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -90.95 -32.18 16.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -62.54 -34.05 76.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -82.58 21.77 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.576 HG22 ' HG3' ' A' ' 73' ' ' MET . 33.2 mt -98.69 111.27 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 69' ' ' SER . 2.5 pptp? -91.33 -34.69 14.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.441 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 3.3 m -45.43 131.8 6.12 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.621 0.724 . . . . 0.0 110.845 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -23.75 30.29 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -89.94 -44.5 9.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 2.4 tptm -62.79 -50.31 71.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.576 ' HG3' HG22 ' A' ' 67' ' ' ILE . 10.0 mtp -44.26 -37.79 3.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -89.62 -60.67 1.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -49.05 -57.16 7.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 18.5 tptm -49.77 -43.58 48.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -49.38 -50.79 38.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.028 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -60.76 -33.93 73.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -58.74 -53.96 52.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.4 mt -58.11 -33.16 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.605 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -73.72 -46.22 47.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 5.0 mm-40 -66.4 -8.34 25.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.847 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 10.3 tt0 -103.83 -51.59 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.435 ' C ' ' H ' ' A' ' 86' ' ' GLN . 70.8 m-85 -103.21 -54.5 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.542 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -77.01 25.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.179 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.503 ' HB2' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -105.21 147.6 27.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.441 HG22 ' HG2' ' A' ' 88' ' ' GLU . 21.8 m -53.65 127.24 24.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.441 ' HG2' HG22 ' A' ' 87' ' ' THR . 3.7 mm-40 44.72 33.64 1.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.847 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -51.87 162.78 0.73 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.623 0.725 . . . . 0.0 111.078 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.667 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.8 Cg_endo -69.71 -33.11 17.42 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.676 2.25 . . . . 0.0 112.338 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 92' ' ' GLU . 11.1 mtpp -121.55 14.79 11.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.618 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 37.7 tt0 -36.38 105.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.525 HG23 HG12 ' A' ' 95' ' ' ILE . 33.8 m -63.58 177.53 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -91.61 96.58 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.525 HG12 HG23 ' A' ' 93' ' ' VAL . 1.3 pt -144.68 112.77 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -51.44 164.08 0.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -53.11 -34.38 56.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.402 ' O ' HG12 ' A' ' 102' ' ' ILE . 18.1 t80 -52.15 -70.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.427 HG21 ' HG3' ' A' ' 121' ' ' ARG . 48.3 m -59.26 -48.06 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.188 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.495 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -47.13 -51.64 17.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -55.67 -46.95 77.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 98' ' ' PHE . 26.6 mm -43.51 -66.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 118' ' ' ALA . 70.2 m -39.9 -53.16 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mtp -46.71 -56.46 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -60.88 -19.13 59.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -92.66 6.06 48.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.522 HD11 ' CD2' ' A' ' 81' ' ' TYR . 37.1 mt -92.18 -2.45 56.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.7 t -78.0 -58.39 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.506 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 8.3 mt-10 -122.78 50.38 2.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.604 0.716 . . . . 0.0 110.775 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.4 Cg_endo -69.66 137.81 36.64 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.704 2.269 . . . . 0.0 112.383 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.9 m -131.93 -68.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.0 mt -133.4 -45.22 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 72.8 m -90.11 22.19 3.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.42 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 3.6 p -55.22 -42.15 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -108.87 38.28 2.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -63.13 -50.87 68.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.408 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 5.4 tpp -67.85 -58.74 4.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.524 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -46.99 -43.46 19.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.01 -57.71 10.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 117' ' ' MET . 4.3 pttp -61.33 -27.19 68.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.439 ' HD2' ' C ' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -66.66 -56.59 9.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.808 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 122' ' ' ILE . 12.0 mm -65.99 -42.63 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -55.94 -37.11 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.72 -22.08 61.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.438 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -83.38 -42.8 16.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.443 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 41.0 mtm -71.79 -11.14 60.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.706 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.8 pt-20 -98.58 -24.67 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.823 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.423 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -110.96 -4.27 15.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 13.0 t70 -116.11 -65.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 134' ' ' PHE . 4.3 m -76.11 -55.23 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 127' ' ' GLU . 4.4 tp -38.17 -54.29 2.67 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.61 0.719 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.9 Cg_endo -69.7 -21.98 33.0 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.375 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 130' ' ' SER . 74.4 mtt180 -94.43 -13.28 26.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 130' ' ' SER . 26.3 t80 -85.6 -37.57 19.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.514 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 24.5 m -63.53 -37.29 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -66.99 -31.36 71.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.5 p -68.32 165.63 18.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 139' ' ' PHE . 0.8 OUTLIER -62.82 -49.01 76.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.466 ' C ' ' O ' ' A' ' 138' ' ' GLU . 65.1 m-85 -32.5 -37.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.734 ' HA ' HD12 ' A' ' 143' ' ' LEU . 54.2 t80 -82.16 -49.95 9.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 138' ' ' GLU . 67.2 mm-40 -47.54 -32.79 5.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -79.03 -26.05 43.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' A' ' 140' ' ' TYR . 25.0 mt -74.38 -32.95 62.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.715 HD13 ' CE2' ' A' ' 140' ' ' TYR . 30.2 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.896 0.379 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 144' ' ' ILE . 0.4 OUTLIER -52.23 -58.83 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.942 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.711 ' HA ' HD12 ' A' ' 23' ' ' LEU . 11.9 t70 -51.77 -16.68 0.72 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.829 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' GLN . 9.3 tt0 -88.73 -58.11 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.558 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -42.31 -31.68 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.026 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.4 mt -73.47 -36.8 65.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' GLU . 45.7 mt-30 -55.7 -23.07 26.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.584 ' HB3' HD13 ' A' ' 32' ' ' LEU . 33.9 m0 -70.81 -19.47 62.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.442 ' HG2' HG11 ' A' ' 135' ' ' VAL . 57.2 mtp180 -78.44 -45.78 21.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -53.12 -57.07 11.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -131.45 136.05 47.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.508 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 19.9 tp -55.56 -47.46 76.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 31' ' ' LYS . 14.0 t0 -40.05 -62.36 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -38.24 -33.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.584 HD13 ' HB3' ' A' ' 25' ' ' TRP . 28.6 tp -76.24 -61.95 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.1 mt -50.62 -51.75 45.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -50.16 -45.29 53.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -70.69 123.71 22.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -56.8 -46.38 81.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.408 ' CE2' HD23 ' A' ' 143' ' ' LEU . 2.3 t80 -59.86 -55.15 37.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.93 -41.7 97.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.71 -62.99 1.46 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.833 0.349 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.0 -55.21 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.8 p -61.26 -46.11 91.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.793 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -50.99 -39.14 54.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -61.35 -62.77 1.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 t -41.34 -43.72 2.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -55.53 -48.6 74.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 93.7 mt -64.88 -57.28 9.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -43.18 -48.46 6.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -66.27 -38.54 88.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -84.1 -1.68 55.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' LEU . 35.9 m-85 65.39 35.74 7.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.427 ' O ' HD22 ' A' ' 46' ' ' LEU . 38.4 m -128.72 33.11 4.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -76.23 -25.08 54.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 pm0 -54.59 -31.59 57.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.456 ' C ' ' SD ' ' A' ' 126' ' ' MET . 2.8 m-20 -62.92 -48.47 78.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.722 HD22 ' CD1' ' A' ' 59' ' ' ILE . 1.1 tt -71.21 -45.97 62.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -43.26 -55.91 3.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 20.3 t80 -50.44 -32.99 19.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -73.22 -59.96 2.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.722 ' CD1' HD22 ' A' ' 55' ' ' LEU . 36.6 mt -48.84 -47.74 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.066 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.35 -52.48 63.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.104 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.6 m -45.14 -64.11 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -47.61 -43.6 25.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -63.94 -24.53 67.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.59 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -83.18 -19.36 36.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.767 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.632 ' O ' HD22 ' A' ' 112' ' ' LEU . 15.1 mmtp -70.92 -32.79 69.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -81.48 18.46 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.572 HG22 ' HG3' ' A' ' 73' ' ' MET . 21.4 mt -94.92 105.0 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -89.29 -34.84 16.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.441 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 1.8 m -47.29 136.35 9.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.651 0.739 . . . . 0.0 110.837 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -24.68 29.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.28 -58.37 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.057 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.459 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -49.11 -50.56 36.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.572 ' HG3' HG22 ' A' ' 67' ' ' ILE . 8.8 mtp -45.09 -37.59 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.51 -59.33 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -51.46 -59.66 4.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.417 ' HB2' ' NZ ' ' A' ' 72' ' ' LYS . 20.3 tptm -45.79 -47.17 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.0 -48.28 32.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -60.84 -30.39 70.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -63.96 -55.93 18.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 36.3 mt -57.29 -30.31 35.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.185 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.663 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.6 OUTLIER -78.12 -47.3 18.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.914 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.489 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 5.0 mm-40 -65.59 -7.92 17.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.829 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 21.4 tt0 -104.1 -53.58 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.426 ' C ' ' H ' ' A' ' 86' ' ' GLN . 65.8 m-85 -101.15 -53.68 2.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.54 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -77.58 24.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.68 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.45 151.81 23.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.497 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 43.9 m -54.77 133.18 47.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.451 ' HG2' HG22 ' A' ' 87' ' ' THR . 23.4 pt-20 35.15 34.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.829 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -50.83 165.7 0.35 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.582 0.706 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.745 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.8 Cg_endo -69.75 -33.94 15.62 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -121.81 17.58 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 7.3 tt0 -39.84 100.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.518 HG11 ' HB2' ' A' ' 57' ' ' PHE . 33.2 m -58.66 -178.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -96.36 96.88 9.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.51 HG12 HG23 ' A' ' 93' ' ' VAL . 1.3 pt -143.91 113.15 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -51.44 165.59 0.15 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.791 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -54.6 -35.65 63.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.401 ' O ' HG12 ' A' ' 102' ' ' ILE . 12.3 t80 -51.03 -68.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.0 m -61.44 -48.38 81.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.76 -51.6 15.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -56.25 -46.57 79.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.813 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 98' ' ' PHE . 17.0 mm -44.03 -65.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.2 m -39.99 -51.32 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.4 mtp -49.29 -55.54 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -61.32 -19.2 61.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.97 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -92.99 4.73 53.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.663 HD11 ' CD2' ' A' ' 81' ' ' TYR . 57.3 mt -91.03 -0.69 57.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.408 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 13.9 t -80.22 -58.01 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.527 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 9.9 mt-10 -121.87 48.96 1.8 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.677 0.751 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.3 Cg_endo -69.78 139.65 40.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.386 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.1 t -132.76 -71.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.632 HD22 ' O ' ' A' ' 65' ' ' LYS . 83.7 mt -131.35 -44.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.4 m -92.11 24.97 3.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.468 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 2.5 p -59.49 -40.17 86.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -108.62 38.23 2.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -66.3 -56.3 11.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 5.7 tpp -59.75 -60.77 3.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.568 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -50.22 -35.21 25.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -69.43 -51.66 34.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -66.41 -29.25 69.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -60.09 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' ' 122' ' ' ILE . 8.3 mm -58.73 -40.03 78.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.427 ' CD2' HD23 ' A' ' 29' ' ' LEU . 5.1 t-80 -57.08 -37.28 71.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.23 -20.35 62.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.0 -43.32 13.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.456 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 47.9 mtm -69.94 -10.33 58.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.773 ' O ' HD23 ' A' ' 131' ' ' LEU . 6.1 pt-20 -98.01 -24.7 15.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.31 -5.17 14.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -113.17 -66.63 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 133' ' ' ARG . 33.0 m -78.04 -55.93 4.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.773 HD23 ' O ' ' A' ' 127' ' ' GLU . 4.0 tp -34.66 -54.43 0.97 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.648 0.737 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.3 Cg_endo -69.75 -26.84 27.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.739 2.293 . . . . 0.0 112.307 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 130' ' ' SER . 61.9 mtm180 -88.51 -13.65 39.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.788 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 130' ' ' SER . 15.2 t80 -84.32 -39.1 19.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.465 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 28.2 m -67.84 -23.03 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.093 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -71.69 -41.29 68.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 97.9 p -65.24 175.9 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -74.75 -34.88 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -40.86 -32.69 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.768 ' HA ' HD12 ' A' ' 143' ' ' LEU . 59.1 t80 -91.26 -49.59 6.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.96 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -48.88 -30.79 6.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -78.29 -26.27 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' A' ' 140' ' ' TYR . 34.3 mt -68.46 -33.75 74.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.437 ' HA ' HD22 ' A' ' 19' ' ' LEU . 24.2 pt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.813 0.34 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -51.41 -62.55 1.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.668 ' HA ' HD12 ' A' ' 23' ' ' LEU . 2.9 m-20 -51.94 -16.61 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 24' ' ' GLN . 10.1 tt0 -85.98 -58.1 2.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.478 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -40.72 -33.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.5 mt -73.16 -37.37 66.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' GLU . 18.1 mt-30 -56.17 -21.84 25.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 51.8 m0 -71.96 -20.72 61.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.417 ' HG2' HG11 ' A' ' 135' ' ' VAL . 44.4 mtp180 -74.45 -38.77 62.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -54.66 -58.49 7.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -135.1 121.6 20.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 tp -44.61 -40.23 5.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.941 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -44.89 -52.96 8.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -48.8 -33.3 10.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.0 tp -72.32 -60.81 2.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.531 HD13 ' CE3' ' A' ' 58' ' ' TRP . 81.2 mt -52.68 -44.45 66.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -53.33 -45.39 69.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -72.46 127.79 33.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -56.28 -49.97 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.47 ' CE2' HD23 ' A' ' 143' ' ' LEU . 2.1 t80 -58.28 -57.91 10.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.12 -42.38 87.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.4 tp -59.6 -63.97 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.26 -50.49 3.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -64.07 -47.33 80.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.808 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -50.51 -41.06 53.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.604 ' HG2' HD13 ' A' ' 55' ' ' LEU . 33.3 mtpt -62.25 -63.02 1.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 t -38.96 -49.05 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.49 ' CE1' ' HG3' ' A' ' 49' ' ' GLU . 15.0 t80 -52.15 -49.71 63.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.532 HD22 ' O ' ' A' ' 51' ' ' SER . 91.6 mt -59.63 -56.91 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -41.81 -43.86 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -70.24 -43.38 70.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.49 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 5.5 mm-40 -78.68 -4.41 48.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 46' ' ' LEU . 22.9 m-85 66.84 36.99 4.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.532 ' O ' HD22 ' A' ' 46' ' ' LEU . 37.7 m -129.68 33.4 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.921 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -74.85 -26.75 59.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.474 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 25.6 pm0 -54.76 -31.43 58.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.474 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 2.7 m-20 -60.98 -53.31 58.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.668 HD22 ' CD1' ' A' ' 59' ' ' ILE . 0.7 OUTLIER -63.7 -47.28 81.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.965 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -42.14 -57.68 2.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.566 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 18.1 t80 -49.08 -34.5 13.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.531 ' CE3' HD13 ' A' ' 33' ' ' LEU . 38.4 t90 -71.23 -62.83 1.26 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.668 ' CD1' HD22 ' A' ' 55' ' ' LEU . 43.6 mt -46.42 -43.36 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.15 -46.99 86.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.036 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 65.1 m -50.61 -59.64 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -54.62 -35.15 63.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -71.23 -33.91 70.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.514 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.1 t80 -69.11 -26.27 64.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 61' ' ' CYS . 28.4 mmtt -68.85 -29.88 68.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -69.22 -5.12 20.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.955 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.554 HG22 ' HG3' ' A' ' 73' ' ' MET . 27.2 mt -80.66 123.3 37.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.192 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.56 3.85 14.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.5 t -84.24 139.07 39.04 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.702 0.763 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -10.39 28.45 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.715 2.276 . . . . 0.0 112.339 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -105.18 -53.52 2.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -57.93 -41.75 83.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.554 ' HG3' HG22 ' A' ' 67' ' ' ILE . 6.8 mtp -54.69 -33.03 60.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.824 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.73 -56.21 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.08 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -55.35 -58.38 7.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.546 ' HG2' HD11 ' A' ' 67' ' ' ILE . 19.1 tptm -47.61 -44.27 26.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.64 -49.13 57.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 6.5 pttm -60.23 -35.82 76.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.419 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 64.0 mt-30 -57.69 -56.66 19.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 35.7 mt -55.7 -30.8 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.609 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -75.96 -44.77 38.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.497 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 13.3 mm-40 -66.72 -8.21 26.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.862 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 10.6 tt0 -105.1 -52.85 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.402 ' C ' ' H ' ' A' ' 86' ' ' GLN . 68.4 m-85 -100.84 -53.77 2.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.547 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.2 mm -78.89 25.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.672 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.9 153.92 21.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.492 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 29.0 m -57.57 134.11 55.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.482 ' HG2' HG22 ' A' ' 87' ' ' THR . 12.6 pt-20 37.34 31.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.862 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -49.66 162.59 0.44 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.571 0.7 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.654 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.4 Cg_endo -69.83 -30.17 22.4 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.64 2.227 . . . . 0.0 112.384 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -124.95 17.43 8.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.601 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 58.1 tt0 -40.6 100.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.517 HG11 ' HB2' ' A' ' 57' ' ' PHE . 32.8 m -58.84 -175.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -100.06 101.69 12.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -147.67 113.88 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -49.42 161.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -51.4 -37.23 47.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -50.8 -68.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 37.5 m -60.31 -49.65 76.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.175 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 104' ' ' MET . 0.1 OUTLIER -47.23 -47.73 24.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -61.59 -47.45 85.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.9 mm -43.41 -63.07 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -42.82 -52.66 4.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.144 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 100' ' ' LYS . 3.0 mtp -47.33 -55.98 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.827 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -60.35 -22.53 63.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -89.61 6.1 42.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.574 HD11 ' CD2' ' A' ' 81' ' ' TYR . 60.9 mt -92.03 -0.78 57.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.4 t -79.4 -57.9 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.525 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 7.4 mt-10 -123.1 49.68 2.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.71 0.767 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.5 Cg_endo -69.76 134.47 28.05 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.612 2.208 . . . . 0.0 112.358 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.7 t -123.57 -70.65 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.0 mt -134.83 -45.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.402 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 55.9 p -87.91 19.53 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.453 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 1.3 p -56.41 -42.43 77.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.837 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 30.8 m-85 -105.04 36.38 2.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.798 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 113' ' ' SER . 10.6 p-10 -68.46 -49.43 59.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 2.9 tpp -63.61 -66.46 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.566 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -46.64 -42.05 15.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.437 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 41.9 tt0 -60.11 -53.7 54.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -25.28 65.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.512 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -67.33 -54.67 18.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 122' ' ' ILE . 10.4 mm -64.88 -42.12 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -53.91 -37.88 64.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.66 -22.86 62.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 129' ' ' ASP . 0.7 OUTLIER -83.97 -43.47 15.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.454 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 38.1 mtm -71.05 -11.05 60.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.467 ' O ' HD23 ' A' ' 131' ' ' LEU . 6.1 pt-20 -98.41 -23.69 15.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.444 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -110.43 -5.26 15.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 132' ' ' PRO . 34.8 t70 -115.85 -65.17 1.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.912 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 133' ' ' ARG . 42.2 m -75.75 -58.86 3.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.61 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.4 tp -35.59 -54.05 1.29 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.7 Cg_endo -69.78 -25.83 28.13 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.718 2.278 . . . . 0.0 112.356 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 130' ' ' SER . 14.4 mtp85 -89.91 -13.38 36.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.4 t80 -86.75 -42.84 13.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.455 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 28.6 m -56.11 -37.7 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -66.16 -44.79 83.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 23.1 p -57.0 136.96 56.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.804 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 139' ' ' PHE . 2.2 mm-40 -41.66 -39.41 1.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 138' ' ' GLU . 97.2 m-85 -37.59 -38.38 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.73 ' HA ' HD12 ' A' ' 143' ' ' LEU . 48.7 t80 -86.03 -43.92 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.923 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -51.91 -32.01 30.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -78.0 -25.12 47.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' A' ' 140' ' ' TYR . 33.8 mt -70.08 -34.94 73.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.478 HG22 ' HB3' ' A' ' 22' ' ' ALA . 29.9 pt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.935 0.398 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -46.0 -62.6 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.67 ' HA ' HD12 ' A' ' 23' ' ' LEU . 20.7 m-20 -48.18 -19.27 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 24' ' ' GLN . 11.6 tt0 -86.95 -58.82 2.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -41.52 -31.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.1 mt -75.83 -36.04 59.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' GLU . 12.4 mt-30 -54.14 -24.19 16.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.66 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 36.3 m0 -72.09 -23.49 61.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.942 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.462 ' HG2' HG11 ' A' ' 135' ' ' VAL . 11.4 mtp-105 -74.23 -41.45 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -57.78 -56.24 24.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 t -135.17 137.52 42.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.797 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.474 HD21 HD11 ' A' ' 33' ' ' LEU . 7.4 tp -56.12 -40.17 73.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 31' ' ' LYS . 3.7 m-20 -43.3 -62.68 0.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 30' ' ' ASP . 20.2 mmtt -37.28 -37.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.513 HD21 ' HB2' ' A' ' 42' ' ' PHE . 24.3 tp -73.22 -65.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.474 HD11 HD21 ' A' ' 29' ' ' LEU . 88.3 mt -47.37 -51.92 18.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -54.3 -42.84 70.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -70.0 124.72 24.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -57.33 -47.75 80.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -62.88 -53.89 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.14 -39.5 94.52 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.3 tp -62.73 -61.62 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.07 -51.29 4.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.034 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.9 m -66.49 -45.05 80.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.513 ' HB2' HD21 ' A' ' 32' ' ' LEU . 35.7 t80 -51.52 -41.53 61.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HG2' HD13 ' A' ' 55' ' ' LEU . 35.8 mtpt -60.8 -64.07 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.5 t -40.56 -41.89 1.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.826 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.436 ' CZ ' ' HG3' ' A' ' 49' ' ' GLU . 18.4 t80 -57.62 -46.69 83.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.631 HD22 ' O ' ' A' ' 51' ' ' SER . 63.4 mt -57.95 -50.29 73.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -43.72 -47.61 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -65.29 -41.29 94.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.436 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 8.3 mm-40 -80.92 -5.63 57.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 46' ' ' LEU . 15.1 m-85 62.53 36.83 13.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.631 ' O ' HD22 ' A' ' 46' ' ' LEU . 65.5 m -129.83 34.84 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.594 ' HA ' HD13 ' A' ' 46' ' ' LEU . 9.5 tt0 -75.94 -20.83 57.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.476 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 11.1 pm0 -60.13 -31.41 70.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.476 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 3.2 m-20 -60.84 -49.33 77.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.86 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.633 HD22 ' CD1' ' A' ' 59' ' ' ILE . 0.9 OUTLIER -66.48 -43.8 84.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -44.73 -58.09 3.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.561 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 20.8 t80 -48.79 -31.62 7.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 37.7 t90 -74.62 -62.84 1.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.633 ' CD1' HD22 ' A' ' 55' ' ' LEU . 54.5 mt -46.13 -42.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.88 -49.02 76.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.4 m -47.37 -54.61 10.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -56.62 -44.13 80.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.19 -15.41 59.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.549 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -90.84 -30.51 16.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -65.88 -32.12 73.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -82.21 17.48 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.56 HG22 ' HG3' ' A' ' 73' ' ' MET . 24.1 mt -94.03 118.29 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.21 -34.31 11.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -47.46 133.6 10.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -27.44 26.57 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.658 2.239 . . . . 0.0 112.399 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.09 -42.83 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.49 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 3.5 tptt -62.69 -51.61 66.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.56 ' HG3' HG22 ' A' ' 67' ' ' ILE . 9.4 mtp -44.56 -35.1 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.41 -62.28 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.42 -59.76 3.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 39.3 tptt -45.39 -46.27 13.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -47.4 -49.92 23.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.498 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 6.9 pttt -61.08 -39.7 90.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.498 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 21.8 mt-30 -53.27 -50.18 65.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.5 mt -61.29 -29.59 46.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.597 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -77.54 -46.1 23.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.1 mt-10 -66.02 -8.43 23.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.87 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 16.7 tt0 -104.38 -52.58 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.401 ' C ' ' H ' ' A' ' 86' ' ' GLN . 62.7 m-85 -101.74 -53.79 2.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.55 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.3 mm -78.99 26.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.656 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -104.81 148.13 26.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.973 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.493 HG22 ' HG3' ' A' ' 88' ' ' GLU . 21.0 m -55.13 123.94 15.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.493 ' HG3' HG22 ' A' ' 87' ' ' THR . 18.5 mt-10 48.08 33.73 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.87 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -53.39 163.25 1.01 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.523 0.678 . . . . 0.0 111.093 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.678 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.5 Cg_endo -69.66 -33.22 17.41 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.652 2.235 . . . . 0.0 112.411 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -121.89 17.82 10.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.587 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 19.3 tt0 -40.91 105.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.511 HG11 ' HB2' ' A' ' 57' ' ' PHE . 35.3 m -61.65 -176.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -98.7 98.54 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.405 HG12 HG23 ' A' ' 93' ' ' VAL . 1.4 pt -145.98 112.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -50.44 157.92 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -48.32 -34.41 10.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -51.72 -70.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 63.7 m -60.17 -50.09 75.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.149 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.53 -45.24 13.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.901 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.16 -45.57 92.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.402 ' HA ' ' HD2' ' A' ' 105' ' ' LYS . 40.9 mm -44.54 -63.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 106' ' ' ASN . 88.6 m -42.05 -55.15 3.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.5 mtp -42.82 -54.38 4.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' A' ' 102' ' ' ILE . 4.3 mttm -61.45 -24.21 66.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.847 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 103' ' ' THR . 92.5 m-20 -87.64 7.97 27.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.523 HD11 ' CD2' ' A' ' 81' ' ' TYR . 34.6 mt -93.68 -3.93 51.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.5 t -76.8 -58.07 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 10.0 mt-10 -123.33 51.23 3.67 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.561 0.696 . . . . 0.0 110.841 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.6 Cg_endo -69.79 134.74 28.66 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.729 2.286 . . . . 0.0 112.323 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.1 m -132.02 -66.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 112' ' ' LEU . 13.4 mt -135.03 -45.35 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 t -89.79 22.25 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.1 p -60.02 -38.4 82.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -114.24 47.05 1.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.98 -51.19 11.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.868 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 5.0 tpp -64.86 -58.93 4.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.561 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -49.76 -42.59 46.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -60.62 -57.85 10.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -27.43 68.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.453 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -66.68 -53.32 35.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 122' ' ' ILE . 8.2 mm -67.97 -45.2 84.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -53.31 -37.6 62.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.53 -20.53 62.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.63 -43.95 12.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.448 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 41.6 mtm -68.85 -10.34 56.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.644 ' O ' HD23 ' A' ' 131' ' ' LEU . 5.6 pt-20 -97.35 -23.99 15.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.815 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.419 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -111.44 -6.06 14.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -111.7 -66.46 1.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 133' ' ' ARG . 14.4 p -78.38 -57.41 3.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 127' ' ' GLU . 5.2 tp -34.2 -53.86 0.89 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.585 0.707 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.6 Cg_endo -69.77 -29.15 24.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.333 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 130' ' ' SER . 22.9 mmt180 -85.66 -13.75 47.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 130' ' ' SER . 14.0 t80 -85.22 -50.22 7.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.462 HG11 ' HG2' ' A' ' 26' ' ' ARG . 23.6 m -49.92 -26.54 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.058 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.8 mtp85 -74.99 -42.53 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 138' ' ' GLU . 13.8 p -60.31 133.12 55.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 139' ' ' PHE . 0.1 OUTLIER -36.01 -41.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.457 ' C ' ' O ' ' A' ' 138' ' ' GLU . 89.5 m-85 -33.74 -43.25 0.13 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.821 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.818 ' HA ' HD12 ' A' ' 143' ' ' LEU . 47.1 t80 -80.51 -44.72 18.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 138' ' ' GLU . 93.2 mm-40 -49.09 -35.12 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -77.61 -25.49 49.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' A' ' 140' ' ' TYR . 41.6 mt -70.4 -33.91 71.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.562 HG22 ' HB3' ' A' ' 22' ' ' ALA . 31.7 pt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.944 0.402 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.568 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -58.34 -53.38 58.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.593 ' HA ' HD12 ' A' ' 23' ' ' LEU . 8.2 t70 -57.76 -12.02 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 24' ' ' GLN . 9.3 tt0 -88.63 -61.07 1.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.55 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -37.7 -35.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.089 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' A' ' 20' ' ' ASP . 3.4 mt -69.38 -41.24 76.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 21' ' ' GLU . 32.7 mt-30 -54.5 -22.92 14.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.577 ' HB3' HD13 ' A' ' 32' ' ' LEU . 44.8 m0 -70.8 -23.03 62.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -76.65 -39.82 51.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -53.02 -58.58 6.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -134.99 132.86 38.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.809 HD21 ' SD ' ' A' ' 126' ' ' MET . 8.3 tp -49.42 -45.17 45.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' LYS . 16.3 m-20 -42.63 -62.44 0.99 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' HD3' ' HB3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -36.52 -47.97 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.884 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.577 HD13 ' HB3' ' A' ' 25' ' ' TRP . 26.6 tp -60.13 -61.43 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.956 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 52.3 mt -49.38 -50.36 40.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.007 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -48.82 -44.65 39.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -75.19 127.98 34.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -60.33 -51.25 70.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.815 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.19 -52.57 62.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.08 -40.6 99.14 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.448 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.0 tp -64.12 -62.67 1.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.42 -56.07 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.5 m -62.63 -42.55 99.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -53.57 -44.38 69.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -57.43 -64.88 0.74 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 t -37.79 -49.18 1.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.533 ' CD2' ' HB2' ' A' ' 134' ' ' PHE . 42.4 t80 -48.32 -44.85 34.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.811 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.731 HD23 ' HA ' ' A' ' 52' ' ' GLU . 9.4 mp -63.76 -51.85 63.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -41.11 -45.72 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 m -64.77 -41.28 95.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -79.83 -10.69 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 68.97 32.86 3.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 m -126.84 30.92 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.731 ' HA ' HD23 ' A' ' 46' ' ' LEU . 9.9 tt0 -72.26 -25.98 61.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 91' ' ' LYS . 3.7 pt-20 -54.57 -33.97 61.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.606 ' O ' HG21 ' A' ' 122' ' ' ILE . 3.0 m-20 -58.87 -46.57 87.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.523 HD22 ' CD1' ' A' ' 59' ' ' ILE . 0.9 OUTLIER -72.69 -46.12 55.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -40.68 -59.89 1.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -44.66 -39.08 4.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.417 ' CB ' ' HE1' ' A' ' 126' ' ' MET . 70.8 t90 -67.05 -64.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.523 ' CD1' HD22 ' A' ' 55' ' ' LEU . 39.2 mt -42.32 -42.63 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.74 -45.89 87.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.047 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 54.9 m -47.29 -57.79 4.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -55.82 -41.49 74.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -65.44 -20.8 66.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.809 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.526 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.2 t80 -86.89 -30.8 21.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -63.89 -31.88 73.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.417 ' NZ ' ' HB3' ' A' ' 66' ' ' LYS . 0.9 OUTLIER -83.63 23.62 0.94 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.839 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.558 HG22 ' HG3' ' A' ' 73' ' ' MET . 20.6 mt -101.18 113.19 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -93.51 -34.21 13.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 m -46.36 130.77 7.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.731 0.777 . . . . 0.0 110.811 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -20.86 33.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.274 . . . . 0.0 112.305 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -92.56 -41.02 10.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.512 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -67.0 -49.66 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.558 ' HG3' HG22 ' A' ' 67' ' ' ILE . 12.9 mtp -45.39 -37.48 5.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.67 -57.18 2.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 11.1 mm-40 -53.04 -57.54 10.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 18.3 tptm -48.94 -48.86 42.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.4 -46.05 9.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.498 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 3.6 pttp -63.96 -40.19 95.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.498 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 19.1 mt-30 -52.75 -51.98 58.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.3 mt -60.24 -30.11 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.645 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.5 OUTLIER -76.27 -45.09 34.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.492 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 6.6 mt-10 -67.44 -8.7 35.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.766 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 20.4 tt0 -105.05 -49.73 3.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.416 ' C ' ' H ' ' A' ' 86' ' ' GLN . 78.3 m-85 -103.57 -54.85 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.561 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -77.95 27.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.492 ' HB2' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -107.46 146.98 31.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 89' ' ' ALA . 67.4 m -50.97 134.2 26.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 37.1 32.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.766 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -49.88 162.33 0.48 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.593 0.711 . . . . 0.0 111.094 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.644 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.1 Cg_endo -69.82 -31.67 19.82 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.285 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 53' ' ' GLU . 8.8 mtpp -123.63 20.6 9.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 28.8 tt0 -42.18 103.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.463 HG23 HG12 ' A' ' 95' ' ' ILE . 30.0 m -62.98 165.44 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -80.65 96.9 7.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.669 HG23 HD11 ' A' ' 122' ' ' ILE . 3.4 pt -146.1 112.25 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -48.89 167.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -56.74 -34.64 67.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -52.14 -68.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.7 m -60.7 -47.5 86.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.481 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -48.22 -53.15 18.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -54.81 -49.15 71.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.1 mm -41.14 -67.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.201 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 97.8 m -39.44 -52.9 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.6 mtp -48.28 -57.3 6.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -59.2 -20.95 58.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -90.53 5.0 49.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.645 HD11 ' CD2' ' A' ' 81' ' ' TYR . 37.4 mt -89.29 -2.94 58.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.405 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 14.9 t -79.47 -57.8 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.105 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.522 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 11.0 mt-10 -121.73 49.71 2.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.728 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.78 124.16 10.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.624 2.216 . . . . 0.0 112.398 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.4 m -118.24 -70.63 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.7 mt -134.09 -44.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.8 m -87.16 20.2 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.7 m -49.06 -55.83 10.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.828 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.43 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 40.0 m-85 -99.87 39.11 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -64.32 -34.94 79.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 4.2 tpp -83.35 -67.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -43.99 -33.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 37.4 tt0 -66.8 -53.16 35.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -67.41 -29.01 68.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.98 -54.8 24.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.669 HD11 HG23 ' A' ' 95' ' ' ILE . 11.2 mm -65.34 -46.02 91.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.704 ' CE1' HD23 ' A' ' 29' ' ' LEU . 7.1 t-80 -55.59 -35.59 65.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.3 -23.87 61.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.47 -43.08 13.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.809 ' SD ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -69.89 -11.71 61.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.869 ' O ' HD23 ' A' ' 131' ' ' LEU . 5.4 pt-20 -96.34 -22.55 17.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.79 -6.85 14.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -109.39 -66.89 1.02 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.893 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 133' ' ' ARG . 22.8 p -80.04 -55.9 4.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.869 HD23 ' O ' ' A' ' 127' ' ' GLU . 4.1 tp -32.83 -54.25 0.6 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.624 0.726 . . . . 0.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.2 Cg_endo -69.86 -31.54 19.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.64 2.227 . . . . 0.0 112.345 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 130' ' ' SER . 15.5 mtt180 -84.25 -12.69 54.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.533 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 17.8 t80 -85.46 -35.95 20.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.444 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 33.8 m -70.25 -34.44 58.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.179 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -60.85 -44.9 96.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 87.2 p -61.9 166.42 4.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 139' ' ' PHE . 2.7 tt0 -64.65 -38.37 90.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 138' ' ' GLU . 92.4 m-85 -34.35 -39.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.638 ' HA ' HD12 ' A' ' 143' ' ' LEU . 66.2 t80 -88.11 -43.95 11.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -50.26 -32.2 16.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.19 -25.93 52.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 140' ' ' TYR . 34.3 mt -69.63 -37.24 76.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.407 ' HA ' HD22 ' A' ' 19' ' ' LEU . 35.1 pt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.918 0.389 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.81 -57.82 10.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.712 ' HA ' HD12 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -56.64 -12.26 1.74 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 24' ' ' GLN . 12.4 tt0 -89.81 -59.23 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.437 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -40.92 -32.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.2 mt -71.99 -38.6 69.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' GLU . 62.2 mt-30 -54.47 -23.66 17.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.51 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 50.5 m0 -71.09 -23.38 62.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -71.92 -38.84 69.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -56.32 -59.85 4.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -135.15 126.41 28.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.817 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 tp -48.21 -39.38 20.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -44.97 -53.28 7.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -47.98 -37.53 14.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.3 tp -67.64 -64.46 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.466 HD13 ' CE3' ' A' ' 58' ' ' TRP . 58.4 mt -48.96 -44.83 41.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -53.8 -45.05 70.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -72.85 127.24 31.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -56.32 -53.26 59.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -55.39 -56.19 23.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.77 -41.77 94.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.52 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.1 tp -62.95 -61.3 2.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.845 0.355 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.78 -48.76 10.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.073 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.2 m -68.98 -43.22 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -53.84 -42.92 69.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.524 ' HG2' HD13 ' A' ' 55' ' ' LEU . 36.7 mtpt -58.1 -63.58 1.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 t -40.47 -45.32 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.432 ' CD2' ' HB2' ' A' ' 134' ' ' PHE . 26.2 t80 -52.07 -40.8 61.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.781 HD23 ' HA ' ' A' ' 52' ' ' GLU . 9.0 mp -71.97 -53.44 13.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.438 ' HG3' ' CD ' ' A' ' 52' ' ' GLU . 39.8 mtpt -41.26 -41.97 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.3 p -69.77 -36.46 75.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.83 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' OE2' ' NH1' ' A' ' 133' ' ' ARG . 5.6 mm-40 -85.18 -9.98 57.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 69.09 32.11 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.4 m -126.42 30.94 5.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.785 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.781 ' HA ' HD23 ' A' ' 46' ' ' LEU . 13.1 tt0 -73.76 -22.48 59.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 5.6 pm0 -52.5 -33.57 45.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.466 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 5.2 m-20 -60.37 -44.13 95.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.69 HD22 HD11 ' A' ' 59' ' ' ILE . 1.2 tt -72.36 -46.25 56.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -42.38 -57.57 2.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.574 ' CZ ' HD11 ' A' ' 85' ' ' ILE . 29.9 t80 -49.01 -37.24 19.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.466 ' CE3' HD13 ' A' ' 33' ' ' LEU . 43.2 t90 -67.21 -60.07 2.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.69 HD11 HD22 ' A' ' 55' ' ' LEU . 31.3 mt -48.77 -45.13 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.55 88.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 65.7 m -46.98 -56.48 6.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -58.07 -36.84 73.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -69.79 -16.05 63.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.483 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 2.3 t80 -91.79 -30.74 16.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -63.85 -31.02 72.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -82.84 18.2 1.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.561 HG22 ' HG3' ' A' ' 73' ' ' MET . 28.2 mt -97.9 103.79 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.135 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' SD ' ' A' ' 73' ' ' MET . 0.0 OUTLIER -84.79 -39.34 18.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -41.48 136.55 1.85 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.678 0.751 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -29.54 23.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.621 2.214 . . . . 0.0 112.37 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.67 -59.55 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.463 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -46.86 -46.13 20.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.561 ' HG3' HG22 ' A' ' 67' ' ' ILE . 11.5 mtp -50.18 -38.11 38.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.35 -57.39 2.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -53.27 -56.84 13.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -48.05 -47.87 33.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.98 -46.23 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.482 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 2.3 pttp -67.25 -38.33 84.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.963 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.482 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 26.1 mt-30 -54.55 -50.41 68.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.5 mt -64.39 -29.38 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.741 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.4 OUTLIER -75.14 -45.77 38.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.535 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 14.6 mt-10 -65.07 -8.28 15.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.79 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 12.8 tt0 -106.16 -52.48 2.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -101.88 -54.75 2.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.69 HG22 ' HE2' ' A' ' 100' ' ' LYS . 1.2 mm -78.97 29.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.648 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.76 148.6 27.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.981 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.451 HG22 ' HG2' ' A' ' 88' ' ' GLU . 23.2 m -58.26 120.93 9.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.451 ' HG2' HG22 ' A' ' 87' ' ' THR . 25.2 mm-40 53.15 27.68 6.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.79 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -49.88 164.46 0.36 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.704 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.7 Cg_endo -69.79 -33.97 15.41 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.339 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -121.89 16.78 10.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.725 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 28.5 tt0 -42.58 103.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.4 m -57.8 176.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -91.75 98.02 11.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.536 HG23 HD11 ' A' ' 122' ' ' ILE . 2.0 pt -142.18 111.59 2.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -47.59 161.39 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -50.71 -38.45 47.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.403 ' O ' HG12 ' A' ' 102' ' ' ILE . 22.6 t80 -48.63 -68.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.9 m -61.95 -53.29 57.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.69 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -43.79 -46.16 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.66 -45.19 93.98 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 98' ' ' PHE . 14.5 mm -44.91 -64.37 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.8 m -40.11 -52.84 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.6 mtp -46.97 -56.65 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.436 ' O ' HG12 ' A' ' 108' ' ' VAL . 15.4 mtpt -60.71 -16.31 38.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -95.29 -0.25 53.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.741 HD11 ' CD2' ' A' ' 81' ' ' TYR . 87.6 mt -89.25 1.47 55.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.45 HG13 ' N ' ' A' ' 109' ' ' GLU . 7.2 p -88.22 -42.92 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 6.1 mm-40 -132.76 45.0 1.47 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.673 0.749 . . . . 0.0 110.841 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.8 Cg_endo -69.69 137.55 35.92 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.409 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 m -133.72 -68.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.949 0.405 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.7 mt -133.67 -43.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.4 m -89.11 22.62 2.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.2 m -50.13 -56.64 10.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -98.08 34.65 1.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -61.39 -34.48 75.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.411 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 3.9 tpp -86.09 -59.69 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.493 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -48.86 -36.44 17.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -66.64 -53.94 28.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 117' ' ' MET . 18.4 pttt -64.77 -30.34 71.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.447 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -64.99 -59.06 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.803 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.536 HD11 HG23 ' A' ' 95' ' ' ILE . 8.0 mm -60.43 -40.62 84.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -57.12 -38.31 73.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.85 -20.47 63.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 129' ' ' ASP . 0.5 OUTLIER -85.52 -45.89 11.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.429 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 46.0 mtm -67.83 -10.97 57.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.605 ' O ' HD23 ' A' ' 131' ' ' LEU . 8.7 pt-20 -97.91 -25.75 14.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.431 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -112.29 -1.32 15.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 125' ' ' LEU . 37.3 t0 -116.43 -65.92 1.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 134' ' ' PHE . 5.1 p -79.99 -52.45 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.646 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.8 tp -39.72 -51.92 5.09 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.606 0.717 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.646 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.5 Cg_endo -69.71 -22.33 32.44 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.635 2.223 . . . . 0.0 112.424 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.452 ' NH1' ' OE2' ' A' ' 49' ' ' GLU . 6.9 mtp-105 -96.07 -13.27 23.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 130' ' ' SER . 25.5 t80 -85.98 -38.15 18.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.415 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 28.8 m -62.51 -38.51 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 23.7 mtm105 -65.1 -40.82 95.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 49.7 p -62.27 136.35 57.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.511 ' OE1' ' N ' ' A' ' 138' ' ' GLU . 0.2 OUTLIER -38.72 -41.0 0.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 138' ' ' GLU . 96.2 m-85 -34.57 -40.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.825 ' HA ' HD12 ' A' ' 143' ' ' LEU . 44.6 t80 -87.7 -45.61 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -48.43 -34.06 10.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -76.85 -27.0 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.825 HD12 ' HA ' ' A' ' 140' ' ' TYR . 31.5 mt -68.19 -35.0 77.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.437 HG22 ' HB3' ' A' ' 22' ' ' ALA . 26.6 pt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.048 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.46 HD13 ' C ' ' A' ' 19' ' ' LEU . 1.3 tm? -60.39 -56.83 16.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.608 ' HA ' HD12 ' A' ' 23' ' ' LEU . 1.1 m-20 -54.66 -15.29 1.72 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' GLN . 8.5 tt0 -87.75 -56.78 3.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.575 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -42.06 -31.48 0.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.7 mt -75.5 -37.65 60.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' GLU . 27.3 mt-30 -55.2 -18.29 5.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.973 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.688 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 34.8 m0 -71.27 -23.27 61.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -71.5 -49.41 41.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -47.91 -57.4 5.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m -134.89 133.48 39.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.426 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 6.4 tp -52.59 -46.83 67.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 31' ' ' LYS . 7.9 t70 -37.19 -64.49 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.484 ' C ' ' HG2' ' A' ' 34' ' ' GLN . 14.8 mmtm -35.54 -38.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.494 ' HA ' ' CD1' ' A' ' 25' ' ' TRP . 28.4 tp -69.48 -61.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.977 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.402 HD11 HD21 ' A' ' 29' ' ' LEU . 24.4 mt -51.96 -53.27 43.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.484 ' HG2' ' C ' ' A' ' 31' ' ' LYS . 12.5 pt20 -46.38 -38.22 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.482 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 6.2 m120 -85.66 121.89 28.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.68 -51.22 61.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -50.88 -60.67 2.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.72 -42.86 91.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.486 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.0 tp -59.71 -63.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.845 0.355 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.7 -51.96 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.2 m -67.16 -42.91 83.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.809 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -53.62 -39.78 65.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.594 ' HG2' HD13 ' A' ' 55' ' ' LEU . 35.3 mtpt -63.97 -63.44 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 t -39.63 -42.96 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -54.97 -56.21 22.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.432 ' HB3' ' C ' ' A' ' 51' ' ' SER . 82.1 mt -53.93 -48.09 70.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -50.04 -48.06 53.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m -67.67 -12.26 60.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -112.37 0.46 15.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 61.93 34.42 16.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.432 ' C ' ' HB3' ' A' ' 46' ' ' LEU . 19.2 m -131.28 34.37 4.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.782 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -80.43 -10.08 59.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.472 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 11.3 pm0 -66.99 -36.09 81.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.472 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 8.6 m-20 -56.33 -47.73 78.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.775 HD22 ' CD1' ' A' ' 59' ' ' ILE . 1.2 tt -67.86 -42.14 81.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -48.51 -52.15 23.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.576 ' CZ ' HD11 ' A' ' 85' ' ' ILE . 17.9 t80 -54.29 -33.42 58.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -72.62 -58.61 3.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.775 ' CD1' HD22 ' A' ' 55' ' ' LEU . 40.2 mt -48.81 -46.06 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.8 88.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.06 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 88.5 m -48.14 -62.86 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -48.81 -41.87 34.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -65.08 -23.83 67.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.567 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -85.5 -27.0 25.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.832 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -69.88 -29.14 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -83.01 10.5 7.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.627 HG22 ' HG3' ' A' ' 73' ' ' MET . 20.1 mt -90.86 127.6 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -108.29 -31.88 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.775 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 m -48.65 133.9 13.78 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -20.56 34.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.03 -41.34 10.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.477 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 5.3 tptt -67.66 -49.96 60.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.627 ' HG3' HG22 ' A' ' 67' ' ' ILE . 9.4 mtp -47.82 -33.34 7.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.472 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.71 -60.48 1.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -52.41 -59.2 4.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.811 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 40.4 tptt -46.14 -39.83 10.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -54.23 -51.17 65.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -30.49 71.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -62.75 -49.07 76.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.0 mt -64.48 -29.41 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.611 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -78.13 -44.0 27.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.494 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 13.5 mm-40 -66.63 -8.24 25.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.833 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 12.5 tt0 -106.66 -52.64 2.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -100.01 -54.0 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.674 HG22 ' HE2' ' A' ' 100' ' ' LYS . 1.2 mm -80.16 27.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.672 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -106.25 149.14 27.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.455 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 29.4 m -55.73 129.37 39.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 42.08 35.94 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.833 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -55.38 163.89 1.63 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 111.053 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.704 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 54.4 Cg_endo -69.69 -34.23 15.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.766 2.311 . . . . 0.0 112.319 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -121.28 22.41 10.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -39.76 129.12 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 57' ' ' PHE . 34.9 m -88.98 175.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -92.5 98.1 11.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -142.17 111.96 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.16 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 97' ' ' HIS . 35.8 t70 -51.62 146.23 7.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 96' ' ' ASP . 38.8 m80 -34.12 -41.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.797 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -47.21 -65.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.6 m -64.54 -56.61 12.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.674 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -43.59 -28.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -82.1 -41.77 20.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.8 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.5 mm -50.46 -55.65 5.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.6 m -48.13 -47.25 34.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.6 mtp -51.03 -55.02 19.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp -63.47 -21.21 66.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -90.1 4.98 48.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.595 HD11 ' CD2' ' A' ' 81' ' ' TYR . 18.9 mt -91.01 -3.34 57.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.467 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 13.3 t -78.93 -60.98 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.512 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 5.2 mm-40 -117.93 49.96 1.04 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.6 Cg_endo -69.75 131.24 20.83 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.407 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.6 t -129.44 -68.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 112' ' ' LEU . 12.2 mt -133.05 -44.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.1 m -90.84 22.81 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.402 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 2.2 p -61.3 -38.6 87.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.87 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -111.37 40.29 2.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -73.1 -46.25 52.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 4.2 tpp -68.86 -62.35 1.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.551 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -48.16 -44.95 32.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -58.52 -58.52 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -29.0 69.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.427 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -67.01 -52.01 47.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 122' ' ' ILE . 7.3 mm -70.57 -40.95 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -56.41 -35.36 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.5 -20.06 60.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.6 OUTLIER -83.58 -44.87 14.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.977 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.432 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 27.8 mtm -72.46 -10.03 59.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.825 ' O ' HD23 ' A' ' 131' ' ' LEU . 6.0 pt-20 -97.38 -27.06 14.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.46 -3.4 15.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 33.2 t0 -114.07 -66.25 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 133' ' ' ARG . 15.2 m -78.43 -55.58 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.825 HD23 ' O ' ' A' ' 127' ' ' GLU . 4.1 tp -35.33 -53.93 1.2 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.572 0.701 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 54.0 Cg_endo -69.75 -26.92 27.14 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 130' ' ' SER . 80.7 mtm180 -89.4 -12.76 39.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 130' ' ' SER . 12.9 t80 -87.37 -35.99 18.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.527 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 17.7 m -62.5 -40.29 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.1 mtm105 -64.17 -28.0 69.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.1 p -73.65 138.23 44.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 140' ' ' TYR . 1.2 mt-10 -39.32 -51.58 2.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.491 ' C ' ' O ' ' A' ' 138' ' ' GLU . 55.9 m-85 -30.18 -39.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.624 ' HA ' HD12 ' A' ' 143' ' ' LEU . 63.2 t80 -87.27 -53.2 4.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.678 ' HA ' HD11 ' A' ' 144' ' ' ILE . 66.4 mm-40 -43.81 -32.64 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 6.4 pt-20 -75.98 -31.66 59.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.688 HD13 ' HZ3' ' A' ' 25' ' ' TRP . 73.8 mt -56.39 -31.53 63.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.841 HD13 ' H ' ' A' ' 144' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.468 HD21 ' HB ' ' A' ' 144' ' ' ILE . 0.9 OUTLIER -50.84 -58.83 4.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.693 ' HA ' HD12 ' A' ' 23' ' ' LEU . 5.4 m-20 -54.24 -18.19 3.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 24' ' ' GLN . 8.9 tt0 -84.08 -58.61 2.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.426 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -41.19 -31.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.9 mt -74.94 -38.15 61.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 21' ' ' GLU . 11.2 mt-30 -56.29 -15.63 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.803 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 44.8 m0 -74.52 -22.64 58.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 13.6 mtp-105 -72.07 -34.63 68.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -61.26 -56.01 25.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.2 m -135.04 128.74 32.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.409 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 6.1 tp -51.75 -39.27 58.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -45.87 -55.69 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.467 ' C ' ' HG2' ' A' ' 34' ' ' GLN . 14.6 mttm -45.89 -33.41 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.8 tp -71.97 -58.25 3.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.5 mt -53.81 -53.12 56.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.484 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 13.4 pt20 -45.18 -40.0 6.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.964 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.484 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 3.2 t-20 -80.98 116.33 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -48.36 -47.95 36.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.429 ' CE2' ' CD2' ' A' ' 143' ' ' LEU . 2.2 t80 -55.68 -60.96 2.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.93 -42.46 80.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.429 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.5 tp -59.13 -63.45 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.981 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -40.93 -53.78 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 m -65.78 -37.97 87.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.412 ' O ' HD13 ' A' ' 46' ' ' LEU . 37.1 t80 -58.75 -36.98 75.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.832 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.518 ' HG2' HD13 ' A' ' 55' ' ' LEU . 34.9 mtpt -66.04 -65.54 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.0 t -41.94 -41.04 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.49 ' CZ ' ' O ' ' A' ' 133' ' ' ARG . 33.7 t80 -55.72 -40.09 71.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 52' ' ' GLU . 5.6 mp -74.17 -49.77 22.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -41.39 -38.73 1.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -69.31 -34.76 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.772 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.548 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 4.0 mm-40 -94.93 14.0 23.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 2.7 p90 47.23 31.35 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.6 m -119.59 27.6 8.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.485 ' HA ' HD23 ' A' ' 46' ' ' LEU . 3.6 tt0 -74.88 -26.75 59.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -49.47 -37.16 25.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.434 ' HA ' HG12 ' A' ' 93' ' ' VAL . 10.0 m-20 -55.12 -46.69 75.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.646 HD22 ' CD1' ' A' ' 59' ' ' ILE . 0.5 OUTLIER -67.71 -49.54 62.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -41.14 -49.74 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.55 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 23.5 t80 -54.5 -34.78 62.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.427 ' N ' ' O ' ' A' ' 55' ' ' LEU . 52.1 t90 -72.37 -63.68 1.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.646 ' CD1' HD22 ' A' ' 55' ' ' LEU . 36.0 mt -44.71 -42.39 2.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.041 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.25 -52.72 60.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 75.2 m -40.55 -56.87 1.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.94 -39.02 68.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -67.53 -19.91 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.498 ' HE2' ' HB2' ' A' ' 77' ' ' ALA . 3.3 t80 -86.79 -28.32 23.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -69.28 -33.38 73.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -75.31 3.4 9.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 10.0 mt -89.67 113.81 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -96.45 -29.85 13.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.445 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 1.3 t -46.74 138.52 6.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.567 0.698 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -32.93 17.7 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.67 2.246 . . . . 0.0 112.383 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.36 -54.73 4.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.475 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -51.91 -53.69 38.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.0 mtp -45.05 -32.26 1.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.76 -63.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.16 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -50.83 -56.43 12.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.804 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.405 ' HG2' ' CD1' ' A' ' 67' ' ' ILE . 20.0 tptm -49.35 -42.69 42.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.498 ' HB2' ' HE2' ' A' ' 64' ' ' TYR . . . -52.95 -40.76 63.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.073 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.501 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 12.3 pttt -68.63 -37.08 79.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.501 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 29.1 mt-30 -55.09 -56.24 22.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 34.8 mt -58.05 -22.72 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.777 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.4 OUTLIER -83.85 -42.74 16.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.474 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 15.2 mt-10 -69.95 -9.75 56.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.957 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.803 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 12.1 tt0 -103.95 -46.72 4.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.434 ' C ' ' H ' ' A' ' 86' ' ' GLN . 79.9 m-85 -106.18 -55.65 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.561 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.4 mm -76.98 26.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.177 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.474 ' HB2' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -106.3 142.37 36.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.472 HG22 ' HG3' ' A' ' 88' ' ' GLU . 96.9 m -50.03 129.64 20.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.472 ' HG3' HG22 ' A' ' 87' ' ' THR . 13.7 mt-10 47.37 30.54 1.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.812 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.803 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -51.32 158.67 1.3 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.52 0.676 . . . . 0.0 111.105 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.531 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.8 Cg_endo -69.75 -29.68 23.51 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.613 2.209 . . . . 0.0 112.354 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -122.58 16.87 10.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.559 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 35.1 tt0 -39.6 103.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.434 HG12 ' HA ' ' A' ' 54' ' ' ASN . 26.4 m -61.71 179.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.156 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -93.91 97.61 10.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.443 HG23 HD11 ' A' ' 122' ' ' ILE . 1.6 pt -146.58 113.09 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -50.87 156.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -45.99 -37.04 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -50.73 -69.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.3 m -60.17 -48.96 79.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.536 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -47.04 -50.62 19.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -56.21 -46.37 79.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.4 mm -43.35 -64.03 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 93.2 m -42.83 -49.35 5.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mtp -50.36 -55.12 17.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -62.86 -19.91 64.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -92.35 4.89 52.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.777 HD11 ' CD2' ' A' ' 81' ' ' TYR . 25.2 mt -90.06 -3.16 58.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.404 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 17.2 t -76.92 -60.85 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.507 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 1.4 pt-20 -120.95 50.8 2.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.73 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.4 Cg_endo -69.61 134.23 27.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.5 m -128.19 -70.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.5 mt -131.69 -44.33 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.959 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.8 p -85.69 20.73 2.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.7 m -48.29 -61.0 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -97.57 34.07 1.91 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -58.68 -35.44 72.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 8.0 tpp -84.65 -55.1 4.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.55 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -53.66 -41.24 66.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.08 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -61.21 -54.1 48.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -65.93 -30.56 71.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.494 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -64.42 -52.11 59.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.443 HD11 HG23 ' A' ' 95' ' ' ILE . 7.3 mm -67.77 -42.89 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -56.41 -39.78 73.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 127' ' ' GLU . . . -67.58 -19.79 65.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.042 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.91 -54.42 4.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 32.5 mtm -60.67 -9.93 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.73 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.8 pt-20 -99.36 -22.62 15.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -110.27 -7.21 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 133' ' ' ARG . 5.7 m-20 -118.85 -66.01 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 134' ' ' PHE . 48.9 m -71.27 -50.34 33.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 127' ' ' GLU . 3.5 tp -45.4 -55.42 11.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.584 0.706 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.0 Cg_endo -69.8 -23.14 30.96 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.49 ' O ' ' CZ ' ' A' ' 45' ' ' PHE . 14.7 mmp_? -91.91 -13.8 30.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 130' ' ' SER . 9.1 t80 -85.35 -37.88 19.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.434 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 34.4 m -65.19 -16.18 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -79.31 -39.37 33.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 138' ' ' GLU . 23.4 p -69.51 133.5 47.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.788 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 139' ' ' PHE . 1.1 pm0 -34.96 -41.97 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.47 ' C ' ' O ' ' A' ' 138' ' ' GLU . 84.3 m-85 -32.35 -43.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.551 ' O ' HD13 ' A' ' 144' ' ' ILE . 60.0 t80 -84.12 -53.18 5.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.955 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.689 ' HA ' HD11 ' A' ' 144' ' ' ILE . 82.2 mm-40 -41.38 -34.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 139' ' ' PHE . 9.3 pt-20 -74.58 -34.88 62.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.803 HD13 ' HZ3' ' A' ' 25' ' ' TRP . 75.3 mt -53.11 -35.08 59.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.838 HD13 ' H ' ' A' ' 144' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.086 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.904 0.383 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.426 ' CD1' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -45.53 -62.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.553 ' HA ' HD12 ' A' ' 23' ' ' LEU . 77.7 m-20 -47.65 -19.62 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 24' ' ' GLN . 3.3 tp10 -88.99 -56.59 3.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.435 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -42.31 -31.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.5 mt -76.15 -36.05 58.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 21' ' ' GLU . 16.6 mt-30 -54.56 -22.0 11.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.519 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 38.3 m0 -71.06 -23.44 62.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.409 ' HA ' HD11 ' A' ' 131' ' ' LEU . 15.0 mtp-105 -70.08 -43.87 70.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -56.49 -62.0 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 t -129.09 126.96 40.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 4.9 tp -50.32 -37.11 35.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -45.15 -55.96 5.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HA ' ' HG2' ' A' ' 34' ' ' GLN . 15.4 mmtt -44.84 -27.14 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 17.0 tp -79.9 -48.71 13.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.7 mt -63.93 -41.24 97.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.401 ' HG2' ' HA ' ' A' ' 31' ' ' LYS . 1.4 pp0? -63.93 -36.58 84.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.472 ' O ' ' C ' ' A' ' 36' ' ' ASN . 3.3 t-20 -78.37 97.8 5.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.472 ' C ' ' O ' ' A' ' 35' ' ' ASN . 0.8 OUTLIER -32.62 -54.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.38 -51.74 63.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.57 -49.08 82.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.8 tp -55.08 -61.23 2.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.21 -59.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.095 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -59.25 -44.4 92.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -51.44 -43.47 62.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.69 ' HG2' HD13 ' A' ' 55' ' ' LEU . 36.8 mtpt -59.38 -62.94 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 t -41.26 -46.72 3.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -51.17 -41.15 59.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.792 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 49' ' ' GLU . 89.3 mt -67.53 -54.62 18.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.426 ' HG3' ' CD ' ' A' ' 52' ' ' GLU . 15.1 mtpp -39.87 -34.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.0 t -79.11 -36.39 40.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.543 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 5.1 mm-40 -91.21 17.54 8.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 27.9 p90 45.65 31.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.7 m -120.5 27.77 8.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.426 ' CD ' ' HG3' ' A' ' 47' ' ' LYS . 7.0 tt0 -71.84 -24.09 61.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 91' ' ' LYS . 4.3 pt-20 -60.93 -31.15 70.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -59.1 -52.44 65.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.69 HD13 ' HG2' ' A' ' 43' ' ' LYS . 1.3 tt -66.08 -43.9 86.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -45.54 -55.77 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.468 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 25.5 t80 -50.22 -34.97 24.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 59.9 t90 -69.3 -61.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.662 HD11 HD22 ' A' ' 55' ' ' LEU . 22.7 mt -46.46 -45.01 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.33 -51.05 69.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 44.4 m -43.92 -52.84 6.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.85 -44.23 97.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.05 -20.2 65.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.556 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -85.25 -34.73 21.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -63.78 -32.13 73.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -83.58 19.89 1.51 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.486 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 42.3 mt -93.95 114.65 31.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.21 -21.6 19.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 m -60.63 133.37 91.55 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.682 0.753 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -34.57 14.45 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -82.54 -36.95 25.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.486 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -67.96 -48.24 66.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.439 ' HG3' HG22 ' A' ' 67' ' ' ILE . 8.2 mtp -47.5 -37.66 12.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -89.87 -58.25 2.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 4.8 mm-40 -51.09 -59.52 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 31.9 tptt -47.98 -43.85 29.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -48.16 -51.8 23.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.048 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.491 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 8.1 ptmt -60.04 -39.73 86.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.491 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 20.9 mt-30 -52.89 -57.6 9.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.9 mt -55.05 -26.9 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.604 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -79.2 -45.71 19.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.505 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.6 mt-10 -66.15 -8.66 25.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.883 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 14.3 tt0 -105.45 -52.15 2.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -100.82 -54.2 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.558 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.61 28.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.714 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -106.92 151.15 25.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.521 HG22 ' HG3' ' A' ' 88' ' ' GLU . 19.5 m -62.95 125.97 25.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.521 ' HG3' HG22 ' A' ' 87' ' ' THR . 16.9 mt-10 52.94 27.98 6.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.883 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -53.82 159.37 2.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.571 0.7 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.546 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 54.6 Cg_endo -69.71 -28.82 25.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.609 2.206 . . . . 0.0 112.43 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 53' ' ' GLU . 8.1 mtpp -123.63 17.65 9.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 38.9 tt0 -41.26 96.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.481 HG23 HG12 ' A' ' 95' ' ' ILE . 35.1 m -55.23 178.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -94.35 98.83 11.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.481 HG12 HG23 ' A' ' 93' ' ' VAL . 1.5 pt -146.52 113.25 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.154 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -53.01 154.64 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.803 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -44.4 -34.78 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.804 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -50.77 -70.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 63.4 m -62.83 -43.73 98.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.178 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.05 -49.58 40.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.22 -45.19 91.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.3 mm -43.6 -64.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 94.4 m -42.14 -51.95 4.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.3 mtp -47.82 -55.38 9.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -61.9 -21.68 64.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -91.08 7.04 42.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.545 HD11 ' CD2' ' A' ' 81' ' ' TYR . 40.9 mt -92.3 -2.69 56.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.967 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.409 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 14.5 t -78.37 -59.18 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 2.8 mm-40 -121.18 50.14 1.98 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.7 Cg_endo -69.74 133.03 24.62 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.1 m -127.65 -69.17 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.8 mt -133.08 -44.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 92.0 p -88.2 21.64 2.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.793 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.4 p -57.17 -40.16 76.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.408 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 98.5 m-85 -111.99 43.23 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -49.24 35.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 7.0 tpp -69.02 -56.64 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.468 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -52.36 -46.55 66.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.408 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 39.0 tt0 -57.21 -56.62 19.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -63.72 -29.62 70.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.407 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -64.38 -51.44 63.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 122' ' ' ILE . 10.9 mm -71.04 -43.12 76.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -54.93 -36.84 65.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' ' 127' ' ' GLU . . . -72.19 -23.83 61.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.086 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.17 -40.41 27.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 37.6 mtm -74.29 -10.94 60.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.529 ' O ' HD23 ' A' ' 131' ' ' LEU . 3.8 pt-20 -99.86 -21.84 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 132' ' ' PRO . 8.5 ptmt -109.74 -9.31 14.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -115.81 -65.09 1.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 134' ' ' PHE . 44.8 m -71.87 -57.41 4.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.569 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.8 tp -37.75 -55.95 1.96 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.595 0.712 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.2 Cg_endo -69.87 -21.05 33.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.294 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 130' ' ' SER . 60.7 mtt180 -94.31 -12.93 27.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 130' ' ' SER . 23.4 t80 -88.59 -29.5 19.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.519 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 30.5 m -68.13 -34.03 64.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -75.85 -27.57 57.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 138' ' ' GLU . 28.4 p -73.11 138.17 45.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 140' ' ' TYR . 0.8 OUTLIER -37.06 -52.8 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.504 ' C ' ' O ' ' A' ' 138' ' ' GLU . 63.8 m-85 -29.07 -40.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.712 ' HA ' HD12 ' A' ' 143' ' ' LEU . 53.3 t80 -83.49 -48.47 10.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 138' ' ' GLU . 76.3 mm-40 -48.15 -32.25 6.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -79.11 -25.18 43.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' A' ' 140' ' ' TYR . 33.2 mt -73.98 -32.86 63.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.674 HD13 ' HE1' ' A' ' 140' ' ' TYR . 29.7 pt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.913 0.387 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.49 -60.28 3.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.72 ' HA ' HD12 ' A' ' 23' ' ' LEU . 8.3 m-20 -54.69 -14.63 1.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 24' ' ' GLN . 18.1 tt0 -86.54 -59.08 2.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.59 -35.2 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.169 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.72 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.7 mt -69.84 -38.03 76.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' GLU . 33.9 mt-30 -55.89 -22.03 23.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.613 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 48.3 m0 -71.45 -21.33 61.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -78.49 -41.64 31.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -55.06 -57.84 10.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -134.27 122.71 23.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 tp -44.63 -45.92 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 31' ' ' LYS . 11.1 t0 -36.7 -64.36 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 30' ' ' ASP . 16.7 mmtm -35.46 -43.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.412 HD12 ' HA3' ' A' ' 38' ' ' GLY . 26.1 tp -62.73 -66.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.8 mt -47.78 -46.64 30.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -55.57 -44.58 76.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -72.35 127.75 33.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -58.79 -45.61 89.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.43 ' CE2' HD23 ' A' ' 143' ' ' LEU . 2.0 t80 -61.12 -54.48 44.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.412 ' HA3' HD12 ' A' ' 32' ' ' LEU . . . -60.39 -46.75 93.74 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.433 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.5 tp -55.06 -61.63 2.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.21 -60.29 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.032 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -57.96 -46.85 84.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -49.22 -46.37 45.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.607 ' HG2' HD13 ' A' ' 55' ' ' LEU . 35.8 mtpt -58.72 -62.62 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 t -41.66 -41.66 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 134' ' ' PHE . 44.4 t80 -59.44 -49.91 75.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.59 HD22 ' O ' ' A' ' 51' ' ' SER . 74.6 mt -55.06 -46.11 75.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -51.15 -52.63 42.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.0 t -60.46 -30.99 70.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.446 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 39.7 mm-40 -88.64 -12.88 41.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 46' ' ' LEU . 24.4 m-85 72.04 34.7 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.815 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.59 ' O ' HD22 ' A' ' 46' ' ' LEU . 65.2 m -130.89 37.04 3.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -76.54 -22.61 54.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 91' ' ' LYS . 4.7 pt-20 -57.36 -32.78 67.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -59.7 -52.53 65.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.703 HD22 HD11 ' A' ' 59' ' ' ILE . 1.2 tt -63.84 -46.8 83.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -41.75 -57.73 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.463 ' HB2' HG11 ' A' ' 93' ' ' VAL . 24.1 t80 -49.24 -36.25 19.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -68.12 -60.64 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.703 HD11 HD22 ' A' ' 55' ' ' LEU . 27.4 mt -47.59 -46.38 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.4 -46.86 86.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.7 m -51.99 -56.15 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.04 -36.94 78.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -69.51 -34.09 73.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.543 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -64.66 -36.15 83.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.8 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.6 mttt -61.51 -30.1 70.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -67.66 -2.63 7.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.946 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.516 HG22 ' HG3' ' A' ' 73' ' ' MET . 57.4 mt -88.56 130.35 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.35 -25.21 8.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -53.21 139.8 44.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.656 0.741 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -15.45 37.34 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.9 -60.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.486 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -49.34 -40.41 35.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.516 ' HG3' HG22 ' A' ' 67' ' ' ILE . 12.6 mtp -57.0 -33.88 67.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.46 -53.08 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.467 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . 9.5 mt-10 -57.98 -58.1 9.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 27.2 tptt -49.92 -33.06 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -58.81 -44.54 90.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.087 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 75' ' ' GLU . 1.7 ptpt -69.33 -38.0 77.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -52.93 -50.88 63.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.8 mt -64.01 -29.13 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.75 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.5 OUTLIER -74.81 -45.79 41.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.492 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 4.9 mm-40 -66.11 -8.54 24.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.856 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 18.1 tt0 -104.84 -53.38 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -99.99 -53.63 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.544 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.21 25.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.697 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.4 152.96 22.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.5 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 46.1 m -58.74 132.76 54.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.424 ' HG2' HG22 ' A' ' 87' ' ' THR . 19.2 pt-20 40.54 32.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.856 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -52.73 162.66 0.92 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 0.0 111.073 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.65 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.5 Cg_endo -69.74 -32.72 18.09 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.636 2.224 . . . . 0.0 112.366 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 53' ' ' GLU . 8.7 mtpp -124.02 19.54 9.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.787 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 48.4 tt0 -45.87 97.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.463 HG11 ' HB2' ' A' ' 57' ' ' PHE . 34.1 m -51.82 -179.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -94.83 103.25 15.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -150.39 113.07 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -53.13 160.85 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -47.83 -35.67 10.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -51.71 -70.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.467 HG21 ' HG3' ' A' ' 121' ' ' ARG . 90.6 m -59.9 -51.61 68.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.446 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -45.55 -49.86 13.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.72 -46.76 81.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.5 mm -43.62 -66.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 88.7 m -39.44 -51.57 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.8 mtp -48.43 -57.05 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.492 ' O ' HG12 ' A' ' 108' ' ' VAL . 6.8 mtpp -60.1 -17.38 39.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -92.88 -3.37 54.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.75 HD11 ' CD2' ' A' ' 81' ' ' TYR . 92.9 mt -85.07 4.4 34.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 105' ' ' LYS . 7.3 p -92.03 -42.94 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.618 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 38.5 mm-40 -130.8 43.53 1.14 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.615 0.721 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.6 Cg_endo -69.71 135.71 31.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.383 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.6 t -133.4 -67.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 112' ' ' LEU . 10.1 mt -134.81 -38.9 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 51.2 p -95.74 24.16 5.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.1 m -53.85 -49.59 68.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.432 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 42.7 m-85 -102.83 38.81 1.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -64.17 -41.89 96.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 6.2 tpp -78.76 -59.59 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.438 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -49.41 -41.41 39.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.432 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 46.4 tt0 -60.94 -56.9 15.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -27.66 69.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.467 ' HG3' HG21 ' A' ' 99' ' ' THR . 0.2 OUTLIER -65.0 -51.35 62.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 122' ' ' ILE . 11.7 mm -69.93 -42.98 79.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -54.85 -35.86 64.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 127' ' ' GLU . . . -73.87 -21.4 60.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.81 -44.67 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.413 ' SD ' ' HA ' ' A' ' 55' ' ' LEU . 42.6 mtm -67.44 -10.87 55.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.616 ' O ' HD23 ' A' ' 131' ' ' LEU . 5.0 pt-20 -98.52 -21.94 16.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.438 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -112.02 -5.32 14.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 132' ' ' PRO . 16.7 t0 -115.43 -67.33 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 134' ' ' PHE . 22.5 p -75.56 -53.22 8.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 127' ' ' GLU . 5.1 tp -39.79 -54.25 4.23 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.66 0.743 . . . . 0.0 110.962 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 52.7 Cg_endo -69.83 -19.8 35.32 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.672 2.248 . . . . 0.0 112.326 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.5 mmm180 -96.05 -14.08 23.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 130' ' ' SER . 20.2 t80 -87.65 -40.39 14.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.448 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 33.0 m -64.0 -23.45 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -71.75 -41.0 68.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 138' ' ' GLU . 53.4 p -69.27 135.37 50.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.786 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 139' ' ' PHE . 1.2 mt-10 -36.27 -36.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 138' ' ' GLU . 72.8 m-85 -34.55 -42.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.873 ' HA ' HD12 ' A' ' 143' ' ' LEU . 69.5 t80 -83.71 -43.39 15.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -52.94 -34.93 57.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -74.76 -17.12 60.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.873 HD12 ' HA ' ' A' ' 140' ' ' TYR . 33.9 mt -80.5 -21.95 41.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 26.2 pt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.874 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.955 0.407 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 19' ' ' LEU . 1.2 tm? -58.75 -56.34 23.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.597 ' HA ' HD12 ' A' ' 23' ' ' LEU . 3.5 m-20 -53.03 -22.37 5.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 24' ' ' GLN . 3.8 tp10 -81.72 -58.48 2.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.421 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -38.53 -35.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.116 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.3 mt -71.69 -39.72 70.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 21' ' ' GLU . 24.1 mt-30 -55.95 -21.89 23.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.421 ' CE3' ' HA ' ' A' ' 22' ' ' ALA . 45.2 m0 -69.64 -18.69 63.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -79.34 -36.68 39.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -53.19 -58.67 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.2 t -135.46 136.41 41.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.82 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.5 tp -53.3 -42.33 66.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' LYS . 4.7 m-20 -46.06 -61.75 1.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.2 mtpm? -36.41 -41.89 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 30.6 tp -66.34 -63.72 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.498 HD13 ' CE3' ' A' ' 58' ' ' TRP . 74.1 mt -48.15 -50.41 28.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -50.59 -45.64 57.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.19 124.62 25.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -57.2 -46.94 82.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.48 -57.14 14.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.958 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.2 -40.41 95.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.2 tp -61.34 -63.11 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -40.33 -52.23 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.9 m -65.63 -45.74 81.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.768 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.41 ' HZ ' ' HG ' ' A' ' 130' ' ' SER . 18.8 t80 -50.74 -43.79 58.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.633 ' HG2' HD13 ' A' ' 55' ' ' LEU . 39.0 mtpt -61.07 -64.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 t -38.94 -46.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.808 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.544 ' CZ ' ' HG3' ' A' ' 49' ' ' GLU . 29.3 t80 -54.3 -46.76 72.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.704 HD22 ' O ' ' A' ' 51' ' ' SER . 51.9 mt -57.5 -46.07 84.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -45.89 -53.83 9.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.8 t -62.62 -42.45 99.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.816 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.544 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 13.2 mm-40 -73.81 -14.67 61.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' LEU . 22.3 m-85 69.4 35.56 2.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.704 ' O ' HD22 ' A' ' 46' ' ' LEU . 36.5 m -131.19 36.61 3.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.839 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.571 ' HA ' HD13 ' A' ' 46' ' ' LEU . 8.5 tt0 -76.2 -23.07 54.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.48 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 25.6 pm0 -56.7 -32.03 65.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.48 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 4.7 m-20 -61.76 -49.52 76.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.664 HD22 ' CD1' ' A' ' 59' ' ' ILE . 0.8 OUTLIER -66.87 -51.27 57.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' CD ' ' HE2' ' A' ' 91' ' ' LYS . 13.6 mt-10 -39.09 -59.51 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -46.76 -34.25 5.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.498 ' CE3' HD13 ' A' ' 33' ' ' LEU . 39.2 t90 -72.46 -63.74 1.09 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.664 ' CD1' HD22 ' A' ' 55' ' ' LEU . 44.9 mt -44.34 -44.86 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.86 -54.31 48.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.144 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 51.9 m -42.59 -55.53 3.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -55.4 -41.25 72.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.84 -16.99 64.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.565 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -88.62 -27.25 21.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.003 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -68.79 -34.04 74.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -78.68 12.53 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.491 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 26.5 mt -90.24 113.83 26.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 69' ' ' SER . 2.8 pptp? -94.33 -32.4 13.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.405 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 3.1 m -49.62 134.16 19.31 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.66 0.743 . . . . 0.0 110.864 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.64 -29.01 25.15 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.696 2.264 . . . . 0.0 112.388 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.83 -45.4 12.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.491 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 2.8 tptm -60.4 -52.1 66.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.44 ' HG3' HG22 ' A' ' 67' ' ' ILE . 14.1 mtp -42.18 -39.63 2.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -88.04 -61.71 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.037 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -47.96 -56.21 8.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -51.09 -46.04 61.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.457 ' HB2' ' HE2' ' A' ' 64' ' ' TYR . . . -46.04 -48.13 16.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.14 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.498 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 4.1 pttp -62.73 -38.35 90.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.498 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 20.4 mt-30 -53.92 -51.46 63.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.9 mt -61.11 -29.61 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.604 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -76.58 -46.03 27.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.51 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 15.6 mt-10 -65.75 -8.28 20.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.862 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 20.6 tt0 -106.15 -52.15 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -100.78 -54.03 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.568 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.2 mm -80.24 28.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.182 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.681 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.52 150.52 25.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.483 HG22 ' HG3' ' A' ' 88' ' ' GLU . 20.2 m -61.17 123.18 16.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.483 ' HG3' HG22 ' A' ' 87' ' ' THR . 18.2 mt-10 53.45 27.51 6.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.862 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -50.69 161.4 0.65 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.54 0.686 . . . . 0.0 111.083 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.607 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.9 Cg_endo -69.82 -28.23 25.22 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.691 2.26 . . . . 0.0 112.306 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.404 ' HE2' ' CD ' ' A' ' 56' ' ' GLU . 8.7 mtpp -124.25 17.9 9.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.814 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 36.0 tt0 -40.19 99.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.415 HG23 HG12 ' A' ' 95' ' ' ILE . 29.0 m -58.92 -179.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -94.92 99.59 11.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.415 HG12 HG23 ' A' ' 93' ' ' VAL . 1.0 OUTLIER -149.25 112.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -50.92 162.39 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -50.17 -38.69 40.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -48.39 -69.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.405 HG21 ' HG3' ' A' ' 121' ' ' ARG . 22.2 m -60.94 -52.38 65.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.173 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.409 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -43.64 -46.41 7.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -60.76 -44.26 96.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.509 HG13 ' HE2' ' A' ' 117' ' ' MET . 30.8 mm -43.72 -63.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 89.0 m -43.08 -52.22 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.0 mtp -48.8 -57.13 6.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -60.43 -13.57 14.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -97.31 -0.05 47.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.564 HD11 ' CD2' ' A' ' 81' ' ' TYR . 98.1 mt -88.24 3.39 49.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 109' ' ' GLU . 7.4 p -90.73 -40.87 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.615 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 6.1 mm-40 -133.93 43.95 1.13 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.652 0.739 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.78 125.59 12.31 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.627 2.218 . . . . 0.0 112.399 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.4 t -120.1 -67.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 112' ' ' LEU . 9.6 mt -133.64 -45.28 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.1 p -90.63 24.01 2.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.458 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 6.1 p -53.37 -38.76 63.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.866 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.41 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 69.1 m-85 -115.32 48.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -78.64 -50.23 11.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.509 ' HE2' HG13 ' A' ' 102' ' ' ILE . 0.5 OUTLIER -65.42 -59.42 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.93 -43.17 63.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.15 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.41 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 5.2 tp60 -58.63 -58.74 7.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -61.08 -26.79 67.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.405 ' HG3' HG21 ' A' ' 99' ' ' THR . 0.0 OUTLIER -66.71 -53.06 37.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 122' ' ' ILE . 8.0 mm -68.07 -46.45 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.403 ' ND1' ' C ' ' A' ' 123' ' ' HIS . 3.6 t-80 -52.47 -36.49 54.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' ' 128' ' ' LYS . . . -72.21 -22.74 61.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -84.44 -35.2 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 50.3 mtm -75.55 -9.04 58.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.605 ' O ' HD23 ' A' ' 131' ' ' LEU . 3.3 pt-20 -96.76 -25.19 15.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 124' ' ' ALA . 2.7 pttp -112.65 -5.35 13.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.807 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 9.0 t0 -110.19 -67.17 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.878 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 133' ' ' ARG . 93.2 p -80.85 -54.91 5.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.618 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.1 tp -35.13 -53.04 1.17 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.6 Cg_endo -69.79 -27.89 25.77 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.298 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 130' ' ' SER . 19.1 mtp180 -87.42 -14.23 41.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 130' ' ' SER . 22.4 t80 -82.22 -52.69 6.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.443 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 32.5 m -53.74 -27.7 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -68.15 -47.85 66.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 138' ' ' GLU . 54.3 p -61.65 135.48 57.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 139' ' ' PHE . 3.7 mm-40 -36.39 -35.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' A' ' 138' ' ' GLU . 44.5 m-85 -34.07 -42.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.66 ' HA ' HD12 ' A' ' 143' ' ' LEU . 63.1 t80 -84.02 -49.27 9.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -44.72 -30.5 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 3.6 pt-20 -78.85 -32.25 45.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 140' ' ' TYR . 30.9 mt -64.32 -35.13 79.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 31.5 pt . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.867 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.05 -62.87 1.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.645 ' HA ' HD12 ' A' ' 23' ' ' LEU . 7.9 t0 -52.19 -19.63 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 24' ' ' GLN . 2.7 tp10 -82.29 -57.97 3.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.59 -33.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.8 mt -73.4 -38.56 65.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' GLU . 27.4 mt-30 -56.32 -19.54 14.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.793 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 46.8 m0 -71.28 -19.61 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 26' ' ' ARG . 37.1 mtp180 -76.26 -40.58 51.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.23 -60.28 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.0 t -134.08 129.22 35.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.771 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 tp -48.83 -40.34 28.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -47.1 -57.45 5.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -41.76 -36.33 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' A' ' 42' ' ' PHE . 32.4 tp -71.07 -62.09 1.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.7 mt -50.33 -48.73 55.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.961 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -49.44 -47.63 48.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -73.21 133.8 44.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -59.81 -58.08 10.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.409 ' CE2' ' CD2' ' A' ' 143' ' ' LEU . 1.9 t80 -49.73 -52.56 30.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.11 -47.53 90.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.51 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.8 tp -58.26 -65.03 0.71 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.795 0.331 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.39 -52.49 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 t -62.1 -53.1 60.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.427 ' HB2' HD21 ' A' ' 32' ' ' LEU . 33.2 t80 -46.47 -44.68 17.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -55.72 -61.13 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -44.27 -46.66 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -51.89 -45.77 64.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.568 HD22 ' O ' ' A' ' 51' ' ' SER . 80.0 mt -65.03 -43.41 92.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -48.54 -53.81 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m -65.29 -41.24 94.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -73.45 -12.76 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' LEU . 30.5 m-85 68.9 36.16 2.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.568 ' O ' HD22 ' A' ' 46' ' ' LEU . 31.9 m -130.98 35.31 3.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -75.29 -25.44 57.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.434 ' HB2' ' HB3' ' A' ' 91' ' ' LYS . 4.0 pt-20 -54.16 -36.58 63.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -57.75 -53.87 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.744 HD22 ' CD1' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -61.73 -51.03 70.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -39.22 -54.68 1.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.553 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 22.1 t80 -50.17 -35.71 27.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' LEU . 53.1 t90 -71.0 -60.12 2.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.744 ' CD1' HD22 ' A' ' 55' ' ' LEU . 36.1 mt -49.58 -46.88 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.83 -51.92 67.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.3 m -45.01 -64.08 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -48.03 -42.28 27.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -63.87 -25.81 68.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.599 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -82.52 -20.54 36.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.835 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.476 ' O ' HD22 ' A' ' 112' ' ' LEU . 14.7 mmtp -69.15 -34.08 74.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.843 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -81.09 19.36 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.915 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.57 HG22 ' HG3' ' A' ' 73' ' ' MET . 22.1 mt -96.18 116.07 37.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.41 ' C ' ' HD3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -99.59 -35.73 9.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -43.78 135.01 3.77 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.667 0.746 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 -26.39 28.15 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.36 -37.3 14.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.467 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 2.7 tptm -68.66 -50.09 53.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.57 ' HG3' HG22 ' A' ' 67' ' ' ILE . 8.8 mtp -46.93 -35.99 7.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.876 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.54 -59.35 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -50.94 -59.8 3.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.451 ' HG2' ' CD1' ' A' ' 67' ' ' ILE . 42.6 tptt -46.47 -46.73 19.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -47.06 -52.08 15.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.485 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -58.38 -38.31 77.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.485 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 55.8 mt-30 -54.01 -55.78 24.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 41.0 mt -57.64 -26.0 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.616 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -80.31 -43.56 21.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.493 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 9.2 mt-10 -67.89 -8.56 37.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.861 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 14.3 tt0 -105.78 -51.83 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -100.56 -53.89 2.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.557 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.72 26.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.715 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -106.21 154.97 19.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.47 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 91.3 m -59.86 135.61 57.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 37.55 31.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.806 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.861 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -51.28 160.66 0.88 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.583 0.706 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 54.4 Cg_endo -69.75 -29.39 23.99 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.732 2.288 . . . . 0.0 112.391 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.434 ' HB3' ' HB2' ' A' ' 53' ' ' GLU . 7.3 mtpp -123.97 17.61 9.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.579 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 25.2 tt0 -41.25 100.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.94 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.648 HG23 HG12 ' A' ' 95' ' ' ILE . 35.8 m -57.93 179.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -94.24 94.44 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.648 HG12 HG23 ' A' ' 93' ' ' VAL . 1.3 pt -143.46 112.92 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -52.03 163.07 0.39 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -51.83 -38.82 57.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -49.39 -64.96 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.448 HG21 ' HG3' ' A' ' 121' ' ' ARG . 38.1 m -64.93 -48.39 74.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.144 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.18 -44.86 22.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -61.9 -45.44 93.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.802 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.7 mm -44.77 -64.4 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.452 ' OG1' ' HB2' ' A' ' 118' ' ' ALA . 84.8 m -41.16 -52.24 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.3 mtp -47.57 -56.47 7.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.84 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -60.2 -19.56 54.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -92.17 6.29 47.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.564 HD11 ' CD2' ' A' ' 81' ' ' TYR . 40.4 mt -92.16 -1.99 56.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.0 t -77.41 -58.26 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 1.0 OUTLIER -124.19 50.69 3.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.73 . . . . 0.0 110.857 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.8 Cg_endo -69.75 132.02 22.47 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.727 2.285 . . . . 0.0 112.369 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.5 m -124.23 -71.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 65' ' ' LYS . 56.4 mt -131.93 -44.32 0.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.9 m -91.69 22.89 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.454 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 2.6 p -58.54 -41.21 85.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.869 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -106.41 31.67 5.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -59.68 -54.33 47.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.412 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 4.1 tpp -62.64 -60.87 2.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.553 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -47.65 -39.9 18.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.039 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -65.87 -54.81 21.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 117' ' ' MET . 3.1 pttp -63.08 -27.89 69.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.448 ' HG3' HG21 ' A' ' 99' ' ' THR . 0.2 OUTLIER -66.15 -60.03 3.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 122' ' ' ILE . 13.0 mm -61.21 -42.01 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.21 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -55.64 -37.1 67.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 127' ' ' GLU . . . -71.12 -19.16 62.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -86.7 -55.76 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.0 mtm -58.5 -10.65 2.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.62 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.9 pt-20 -97.28 -26.1 15.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 -1.27 15.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.1 t70 -116.58 -66.67 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 133' ' ' ARG . 5.3 p -79.49 -52.41 8.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.628 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.5 tp -38.91 -52.72 3.71 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.621 0.724 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.628 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.7 Cg_endo -69.75 -22.25 32.41 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.595 2.197 . . . . 0.0 112.382 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 130' ' ' SER . 38.0 mmm-85 -93.2 -14.67 26.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.0 t80 -85.92 -33.41 21.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.515 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 34.2 m -70.78 -22.98 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 27.5 mmm-85 -75.25 -46.82 31.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 91.7 p -57.24 169.46 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 139' ' ' PHE . 1.6 tt0 -68.56 -39.91 80.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 138' ' ' GLU . 94.6 m-85 -36.92 -39.4 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.515 ' CG ' ' HA ' ' A' ' 135' ' ' VAL . 63.1 t80 -86.81 -56.14 3.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.686 ' HA ' HD11 ' A' ' 144' ' ' ILE . 90.7 mm-40 -42.4 -30.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 5.5 pt-20 -76.65 -34.87 58.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.793 HD13 ' HZ3' ' A' ' 25' ' ' TRP . 58.9 mt -53.15 -32.5 48.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.832 HD13 ' H ' ' A' ' 144' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.884 0.374 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.7 OUTLIER -62.93 -55.86 22.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.525 ' HA ' HD12 ' A' ' 23' ' ' LEU . 12.1 t0 -57.48 -12.18 2.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 24' ' ' GLN . 4.5 tp10 -91.0 -59.14 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.57 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -38.8 -29.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.0 mt -76.94 -41.09 44.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 21' ' ' GLU . 13.2 mt-30 -55.51 -15.81 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.968 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.57 ' CE3' ' HA ' ' A' ' 22' ' ' ALA . 40.0 m0 -71.79 -23.03 61.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.401 ' HG2' HG11 ' A' ' 135' ' ' VAL . 64.9 mtp180 -72.81 -38.79 67.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.825 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -50.72 -59.16 4.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.5 t -135.32 138.51 43.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.5 tp -56.89 -30.09 63.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -56.06 -57.15 13.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' O ' ' CD1' ' A' ' 25' ' ' TRP . 12.1 mtpp -46.4 -25.71 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.8 tp -81.78 -59.13 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.9 mt -54.81 -47.14 74.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -53.15 -45.94 68.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -74.38 114.36 12.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -42.8 -59.32 2.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -45.72 -61.24 1.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -53.13 -50.0 53.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.0 tp -55.14 -63.96 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.32 -54.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.2 t -65.19 -38.25 89.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -58.06 -39.24 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.714 ' HG2' HD13 ' A' ' 55' ' ' LEU . 35.7 mtpt -64.44 -63.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 t -39.77 -41.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.529 ' CD2' HD12 ' A' ' 46' ' ' LEU . 10.9 t80 -56.09 -49.92 72.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.756 HD23 ' HA ' ' A' ' 52' ' ' GLU . 7.1 mp -55.41 -49.08 73.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -44.0 -37.82 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.5 t -68.06 -36.57 80.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -91.96 -3.82 55.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 63.69 28.84 15.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.15 25.05 10.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.756 ' HA ' HD23 ' A' ' 46' ' ' LEU . 16.2 tt0 -65.57 -13.75 59.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.458 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 23.0 pm0 -66.63 -34.81 78.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.458 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 12.4 m-20 -59.51 -33.83 71.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.731 HD22 ' CD1' ' A' ' 59' ' ' ILE . 1.1 tt -79.51 -45.3 19.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -46.19 -52.1 13.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.426 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 18.1 t80 -52.74 -36.02 57.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -69.98 -62.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.731 ' CD1' HD22 ' A' ' 55' ' ' LEU . 38.2 mt -46.5 -42.74 5.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.094 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.78 -41.67 82.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 33.8 m -56.74 -53.29 59.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.64 -32.14 71.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -72.76 -32.32 65.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.532 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -69.86 -29.15 66.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -64.78 -21.24 66.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -85.47 18.32 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.694 HG22 ' HG3' ' A' ' 73' ' ' MET . 22.6 mt -105.07 132.9 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.46 -6.01 8.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 t -71.34 135.96 84.21 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -8.64 24.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.245 . . . . 0.0 112.381 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -104.96 -44.81 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.506 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 4.2 tptp -70.09 -46.74 64.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.694 ' HG3' HG22 ' A' ' 67' ' ' ILE . 11.3 mtp -49.03 -34.02 12.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.2 -58.39 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -54.31 -57.58 10.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.436 ' NZ ' HD11 ' A' ' 80' ' ' ILE . 24.3 tptp -44.74 -37.99 4.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -59.52 -48.93 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -58.67 -34.35 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -61.87 -58.32 8.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.436 HD11 ' NZ ' ' A' ' 76' ' ' LYS . 31.2 mt -55.79 -25.14 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.127 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.613 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -82.2 -44.16 16.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 6.5 mm-40 -67.2 -8.38 30.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.868 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 15.6 tt0 -105.36 -53.1 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -99.63 -53.51 3.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.553 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.56 25.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.195 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.595 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -106.17 152.74 23.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.488 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 31.7 m -57.11 137.14 56.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.465 ' HG2' HG22 ' A' ' 87' ' ' THR . 13.3 pt-20 35.88 31.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.868 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -49.18 160.91 0.48 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.699 . . . . 0.0 111.132 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.605 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.6 Cg_endo -69.74 -32.73 18.06 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.688 2.258 . . . . 0.0 112.346 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 92' ' ' GLU . 9.6 mtpp -122.64 11.86 9.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.816 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 58.6 tt0 -35.2 105.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.665 HG23 HG12 ' A' ' 95' ' ' ILE . 36.0 m -58.93 -176.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -97.38 92.19 5.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.665 HG12 HG23 ' A' ' 93' ' ' VAL . 1.2 pt -139.78 113.86 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -53.35 155.49 2.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.966 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -45.44 -34.92 3.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -52.07 -70.78 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 56.2 m -59.26 -49.26 78.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.49 -48.06 19.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.22 -43.67 92.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 24.6 mm -46.9 -63.63 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.445 ' OG1' ' HB2' ' A' ' 118' ' ' ALA . 95.0 m -42.14 -51.84 4.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mtp -45.77 -53.44 9.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -62.82 -21.99 66.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -89.64 6.91 39.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.803 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.517 HD11 ' CD2' ' A' ' 81' ' ' TYR . 23.3 mt -92.44 -3.29 55.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.7 t -77.49 -58.72 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 1.6 pt-20 -122.72 51.22 3.26 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.682 0.753 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.78 137.08 34.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.3 t -132.63 -70.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.775 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.5 mt -132.5 -45.26 0.9 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.6 p -88.57 20.76 3.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 p -57.67 -49.02 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -99.53 29.14 4.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -58.26 -54.72 43.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 3.4 tpp -63.65 -63.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.445 ' HB2' ' OG1' ' A' ' 103' ' ' THR . . . -45.13 -42.39 8.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -63.46 -54.54 34.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -63.8 -25.12 68.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.453 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -71.07 -49.81 40.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.405 ' HA ' HD13 ' A' ' 122' ' ' ILE . 7.1 mm -72.69 -42.57 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -54.31 -39.45 67.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.83 -22.86 62.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.03 -38.15 27.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 44.9 mtm -76.04 -11.13 59.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.698 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.1 pt-20 -99.45 -21.6 15.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 132' ' ' PRO . 12.1 ptmt -109.35 -10.36 14.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.503 ' O ' ' CG ' ' A' ' 133' ' ' ARG . 7.7 t70 -113.54 -65.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 133' ' ' ARG . 40.7 m -73.01 -59.69 2.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.698 HD23 ' O ' ' A' ' 127' ' ' GLU . 4.2 tp -34.11 -56.09 0.76 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.2 Cg_endo -69.75 -26.45 27.62 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.266 . . . . 0.0 112.275 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 130' ' ' SER . 15.4 mmm180 -88.26 -12.82 42.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 130' ' ' SER . 14.4 t80 -86.53 -38.14 17.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.463 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 27.6 m -67.11 -15.48 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 22.8 mmm-85 -82.57 -38.64 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 75.2 p -71.71 138.84 48.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 140' ' ' TYR . 0.8 OUTLIER -38.56 -43.64 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.472 ' C ' ' O ' ' A' ' 138' ' ' GLU . 86.9 m-85 -32.19 -37.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.666 ' HA ' HD12 ' A' ' 143' ' ' LEU . 73.1 t80 -87.96 -53.58 4.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.049 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.582 ' HA ' HD11 ' A' ' 144' ' ' ILE . 57.5 mm-40 -40.94 -40.45 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 139' ' ' PHE . 0.3 OUTLIER -68.37 -34.5 76.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 140' ' ' TYR . 83.6 mt -52.56 -21.54 3.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.582 HD11 ' HA ' ' A' ' 141' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.029 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.838 0.352 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -47.1 -62.92 1.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.67 ' HA ' HD12 ' A' ' 23' ' ' LEU . 2.5 t70 -51.39 -16.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 24' ' ' GLN . 10.8 tt0 -85.5 -58.36 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.573 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -41.09 -32.37 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.8 mt -74.22 -37.48 63.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' GLU . 12.4 mt-30 -55.12 -19.59 7.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.785 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 34.4 m0 -74.43 -23.47 58.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.403 ' HG2' HG11 ' A' ' 135' ' ' VAL . 50.0 mtp180 -71.06 -41.86 70.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -54.73 -57.84 9.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -135.3 137.59 42.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.401 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 7.0 tp -56.75 -45.67 81.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -38.38 -59.61 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.476 ' C ' ' HG2' ' A' ' 34' ' ' GLN . 14.2 mmtm -40.17 -37.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.479 HD12 ' HA3' ' A' ' 38' ' ' GLY . 27.0 tp -67.75 -66.78 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.2 mt -45.41 -52.55 9.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.476 ' HG2' ' C ' ' A' ' 31' ' ' LYS . 6.6 pt20 -50.74 -34.87 28.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.464 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 3.1 t-20 -82.01 132.43 35.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.47 ' CG ' ' N ' ' A' ' 37' ' ' TYR . 4.9 p30 -60.02 -54.58 44.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.47 ' N ' ' CG ' ' A' ' 36' ' ' ASN . 1.8 t80 -58.45 -54.2 49.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.479 ' HA3' HD12 ' A' ' 32' ' ' LEU . . . -55.89 -42.17 85.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.472 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.5 tp -62.6 -63.33 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.66 -57.03 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.0 p -60.84 -35.61 77.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.436 ' HB2' HD21 ' A' ' 32' ' ' LEU . 22.0 t80 -61.65 -40.06 93.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.838 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.559 ' HG2' HD13 ' A' ' 55' ' ' LEU . 34.3 mtpt -62.71 -62.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' LYS . 2.6 t -37.89 -55.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -44.56 -46.07 9.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.427 ' HB3' ' C ' ' A' ' 51' ' ' SER . 87.1 mt -65.39 -51.66 58.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -42.01 -42.13 2.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.4 t -75.77 -36.78 59.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.531 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 4.7 mm-40 -87.94 16.84 5.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.531 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 50.1 p90 45.68 29.72 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.427 ' C ' ' HB3' ' A' ' 46' ' ' LEU . 47.4 m -116.76 25.1 10.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.791 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -71.11 -23.55 62.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 9.6 pm0 -61.65 -29.13 69.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.423 ' C ' ' SD ' ' A' ' 126' ' ' MET . 2.1 m-20 -61.03 -51.27 69.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 59' ' ' ILE . 0.4 OUTLIER -66.22 -49.04 68.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.945 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -39.6 -59.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.519 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 18.6 t80 -46.3 -33.46 3.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.418 ' CD1' ' NE2' ' A' ' 119' ' ' GLN . 28.3 t90 -73.25 -65.6 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.576 ' CD1' HD22 ' A' ' 55' ' ' LEU . 50.3 mt -45.3 -42.85 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.14 -53.89 51.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.052 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 55.8 m -44.72 -60.83 1.83 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -48.93 -41.77 34.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -65.96 -23.29 66.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -83.43 -19.14 36.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.973 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -72.24 -33.39 67.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -81.44 19.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.543 HG22 ' HG3' ' A' ' 73' ' ' MET . 10.5 mt -98.26 112.54 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -95.69 -32.45 12.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.809 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.409 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 2.1 m -46.76 133.33 8.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.656 0.741 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -24.56 29.27 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.503 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -91.58 -36.32 13.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.084 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.466 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -70.92 -47.78 57.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.837 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.543 ' HG3' HG22 ' A' ' 67' ' ' ILE . 8.6 mtp -48.99 -37.04 19.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.26 -54.79 3.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 5.0 mm-40 -54.57 -59.26 4.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 28.5 tptt -46.94 -42.8 18.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -50.69 -49.4 57.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.057 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.7 pttp -59.24 -34.04 71.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -60.47 -58.38 8.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.6 mt -53.7 -32.93 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.628 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.3 OUTLIER -75.93 -44.02 42.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.507 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 6.3 mm-40 -67.04 -8.76 32.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.86 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 16.9 tt0 -105.47 -51.08 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.402 ' C ' ' H ' ' A' ' 86' ' ' GLN . 68.0 m-85 -101.91 -54.72 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.564 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.3 mm -78.84 26.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.684 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -104.83 152.2 22.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.495 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 84.0 m -58.34 126.18 26.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.181 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.426 ' HG2' HG22 ' A' ' 87' ' ' THR . 21.3 mm-40 46.22 30.21 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.86 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -50.43 162.11 0.56 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.614 0.721 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.639 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.7 Cg_endo -69.72 -29.47 23.99 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.756 2.304 . . . . 0.0 112.319 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -123.82 16.98 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 30.4 tt0 -41.41 100.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.465 HG11 ' HB2' ' A' ' 57' ' ' PHE . 23.4 m -57.99 -175.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -98.42 98.44 9.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.2 pt -145.72 112.84 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.407 ' OD2' ' HB3' ' A' ' 98' ' ' PHE . 9.7 p-10 -52.58 160.39 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -48.58 -38.52 20.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.407 ' HB3' ' OD2' ' A' ' 96' ' ' ASP . 22.8 t80 -48.46 -70.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.407 HG21 ' HG3' ' A' ' 121' ' ' ARG . 25.8 m -60.3 -53.56 56.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.37 -47.15 6.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.975 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.4 -44.46 95.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.2 mm -46.29 -63.73 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.438 ' OG1' ' HB2' ' A' ' 118' ' ' ALA . 99.7 m -41.58 -51.15 4.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.5 mtp -48.01 -55.39 10.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.427 ' O ' HG12 ' A' ' 108' ' ' VAL . 7.0 mtpp -61.66 -14.42 30.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.932 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -95.94 0.32 51.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.628 HD11 ' CD2' ' A' ' 81' ' ' TYR . 92.3 mt -89.21 2.86 53.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 105' ' ' LYS . 7.6 p -89.29 -41.42 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 50.6 mt-10 -134.38 44.94 1.32 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.661 0.743 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.6 Cg_endo -69.74 132.36 23.2 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.708 2.272 . . . . 0.0 112.381 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -127.08 -67.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.0 mt -133.58 -45.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.4 p -92.87 25.11 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.499 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 4.2 p -56.81 -42.02 78.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -107.02 38.53 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.77 -60.09 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 6.9 tpp -57.18 -59.52 4.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.519 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -49.13 -44.15 42.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.064 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.418 ' NE2' ' CD1' ' A' ' 58' ' ' TRP . 5.6 tp60 -60.64 -56.66 18.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -63.03 -26.85 69.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.457 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -66.76 -56.69 9.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 122' ' ' ILE . 11.3 mm -64.68 -43.22 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -53.52 -38.66 63.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.783 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.41 -23.22 62.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.04 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -82.55 -41.5 19.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.423 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 44.1 mtm -72.66 -11.44 60.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.532 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.4 pt-20 -98.5 -24.12 15.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.427 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -111.01 -4.35 15.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 29.8 t70 -115.71 -65.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 134' ' ' PHE . 20.1 m -77.18 -57.44 3.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.613 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 4.6 tp -35.55 -53.85 1.3 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.584 0.707 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.9 Cg_endo -69.77 -26.36 27.59 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 130' ' ' SER . 79.1 mtt180 -90.73 -12.71 35.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.3 t80 -87.84 -30.35 20.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.447 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 28.9 m -71.67 -41.06 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.423 ' N ' HG23 ' A' ' 135' ' ' VAL . 25.9 mtt85 -58.44 -44.88 89.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 59.7 p -60.04 160.06 8.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 139' ' ' PHE . 3.1 tt0 -62.36 -37.69 86.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 138' ' ' GLU . 79.7 m-85 -37.71 -37.49 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.51 ' O ' HD13 ' A' ' 144' ' ' ILE . 62.7 t80 -89.72 -48.78 7.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.691 ' HA ' HD11 ' A' ' 144' ' ' ILE . 84.7 mm-40 -44.8 -30.77 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 4.1 pt-20 -76.49 -32.09 58.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.785 HD13 ' HZ3' ' A' ' 25' ' ' TRP . 69.6 mt -56.07 -31.36 63.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.839 HD13 ' H ' ' A' ' 144' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.944 0.402 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.5 HD21 ' HB ' ' A' ' 144' ' ' ILE . 0.8 OUTLIER -42.33 -62.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.708 ' HA ' HD12 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -45.08 -28.68 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 24' ' ' GLN . 4.1 tt0 -78.23 -60.52 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.403 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -38.27 -32.49 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.5 mt -73.15 -40.72 64.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 21' ' ' GLU . 52.2 mt-30 -54.17 -21.25 8.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.981 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.451 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 50.9 m0 -71.62 -23.57 61.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -70.8 -41.75 71.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -48.85 -60.33 2.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.8 m -135.18 149.53 49.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.507 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 12.9 tp -62.28 -49.34 76.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -41.93 -50.71 4.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HE2' ' OE1' ' A' ' 24' ' ' GLN . 12.2 mttp -46.96 -36.81 8.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 42' ' ' PHE . 47.0 tp -71.42 -66.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 mt -47.22 -48.76 24.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -43.18 -50.83 6.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -72.98 130.36 40.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -55.43 -57.41 12.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -50.58 -57.93 7.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.32 -45.56 74.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.0 tp -58.48 -61.64 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.34 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.76 -50.28 5.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.7 p -64.4 -46.68 82.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.408 ' HB2' HD21 ' A' ' 32' ' ' LEU . 32.5 t80 -51.74 -51.81 53.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.528 ' HG2' HD13 ' A' ' 55' ' ' LEU . 35.5 mtpt -49.62 -62.51 1.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.7 t -42.83 -52.12 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.407 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 55.8 t80 -44.83 -37.47 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.583 HD23 ' HA ' ' A' ' 52' ' ' GLU . 10.6 mp -75.04 -51.36 13.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -40.14 -40.39 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 t -71.19 -42.97 68.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.52 -6.93 55.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 64.15 36.2 9.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -129.77 32.06 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.828 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.583 ' HA ' HD23 ' A' ' 46' ' ' LEU . 20.4 tt0 -68.93 -29.97 68.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.413 ' HB2' ' HB3' ' A' ' 91' ' ' LYS . 4.2 pt-20 -48.28 -37.55 16.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.49 ' O ' HG21 ' A' ' 122' ' ' ILE . 4.3 m-20 -56.99 -37.85 72.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.662 HD22 HD11 ' A' ' 59' ' ' ILE . 1.3 tt -80.68 -44.08 19.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -45.05 -49.31 11.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -54.68 -37.94 66.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -66.73 -60.54 2.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.662 HD11 HD22 ' A' ' 55' ' ' LEU . 23.9 mt -48.49 -48.51 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.84 -46.33 78.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 98.7 m -48.08 -60.02 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -53.31 -42.46 66.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -65.07 -21.3 66.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.537 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.2 t80 -86.42 -28.53 23.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -66.83 -35.21 79.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -81.47 21.86 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.53 HG22 ' HG3' ' A' ' 73' ' ' MET . 22.3 mt -95.76 108.27 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.58 -24.59 21.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -57.98 132.05 83.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.664 0.745 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -29.38 24.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.602 2.201 . . . . 0.0 112.4 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.422 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -84.88 -40.33 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.51 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -66.43 -50.32 63.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.53 ' HG3' HG22 ' A' ' 67' ' ' ILE . 8.3 mtp -43.92 -37.51 2.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.24 -57.93 2.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 4.1 mm-40 -51.8 -59.45 4.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 19.1 tptm -48.76 -43.45 37.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.483 ' HB2' ' HE2' ' A' ' 64' ' ' TYR . . . -49.34 -53.47 22.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.088 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.481 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 8.1 ptmt -57.7 -40.34 79.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.481 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 18.2 mt-30 -52.75 -54.58 31.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.4 mt -56.6 -30.38 31.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.612 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -77.32 -43.78 31.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.934 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.5 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.9 mt-10 -67.13 -8.55 31.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.862 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 19.6 tt0 -106.12 -52.16 2.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -100.35 -54.19 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.56 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.2 mm -79.84 27.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.706 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -106.65 154.55 20.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.469 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 51.5 m -58.43 133.2 55.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 38.26 31.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.862 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -49.84 161.01 0.57 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.7 . . . . 0.0 111.064 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.601 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 52.8 Cg_endo -69.9 -28.8 24.15 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.596 2.197 . . . . 0.0 112.311 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 53' ' ' GLU . 7.5 mtpt -125.18 17.83 8.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.632 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 41.8 tt0 -43.07 98.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.413 HG23 HG12 ' A' ' 95' ' ' ILE . 29.3 m -54.89 -178.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -95.7 97.47 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.44 HG23 HD11 ' A' ' 122' ' ' ILE . 2.5 pt -146.55 111.68 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.17 163.33 0.23 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -51.57 -38.37 54.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.401 ' O ' HG12 ' A' ' 102' ' ' ILE . 12.5 t80 -47.84 -69.68 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.2 m -60.54 -50.51 73.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 104' ' ' MET . 0.1 OUTLIER -44.47 -49.61 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.96 -47.2 81.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.45 ' HA ' ' HD2' ' A' ' 105' ' ' LYS . 36.6 mm -42.64 -67.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.184 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.9 m -39.31 -52.33 2.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.406 ' HG3' ' O ' ' A' ' 100' ' ' LYS . 5.1 mtp -44.08 -53.54 6.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.45 ' HD2' ' HA ' ' A' ' 102' ' ' ILE . 11.2 mttt -63.54 -25.45 68.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -85.33 2.78 42.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.576 HD11 ' CD2' ' A' ' 81' ' ' TYR . 35.1 mt -88.97 -4.74 58.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.0 t -77.26 -56.64 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.495 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 7.1 mt-10 -124.69 51.22 4.64 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.8 Cg_endo -69.75 135.15 29.75 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.726 2.284 . . . . 0.0 112.353 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.488 ' O ' HD23 ' A' ' 112' ' ' LEU . 46.0 m -132.75 -66.9 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 111' ' ' SER . 33.0 mt -134.49 -45.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -91.08 23.11 3.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 p -59.28 -45.97 89.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.458 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 97.9 m-85 -105.46 34.68 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.94 -57.32 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 2.1 tpp -60.43 -61.99 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.82 -42.28 35.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.047 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 26.9 tt0 -61.04 -56.29 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -63.86 -28.24 69.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.422 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.7 OUTLIER -64.72 -55.27 20.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.49 HG21 ' O ' ' A' ' 54' ' ' ASN . 10.0 mm -65.28 -41.77 92.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.196 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -57.13 -37.57 72.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.64 -18.89 62.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -86.23 -50.06 7.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.456 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 32.8 mtm -65.37 -10.12 30.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.689 ' O ' HD23 ' A' ' 131' ' ' LEU . 5.3 pt-20 -97.53 -24.38 15.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.408 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -111.43 -5.7 14.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 125' ' ' LEU . 10.9 t70 -112.4 -66.66 1.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 133' ' ' ARG . 16.5 m -77.83 -56.87 4.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.689 HD23 ' O ' ' A' ' 127' ' ' GLU . 4.3 tp -34.62 -54.09 0.97 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.671 0.748 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 54.3 Cg_endo -69.7 -27.64 26.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.691 2.261 . . . . 0.0 112.388 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 130' ' ' SER . 33.3 mtp180 -88.88 -13.0 40.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.83 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 130' ' ' SER . 22.0 t80 -82.79 -42.93 17.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.452 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 31.4 m -59.89 -33.56 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -63.34 -49.19 74.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 80.6 p -53.5 173.41 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 139' ' ' PHE . 2.2 tt0 -71.76 -39.25 70.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 138' ' ' GLU . 98.5 m-85 -35.91 -40.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.597 ' HA ' HD12 ' A' ' 143' ' ' LEU . 54.3 t80 -82.98 -52.88 6.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -45.52 -32.81 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -79.81 -28.3 40.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 140' ' ' TYR . 40.7 mt -68.2 -36.32 79.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.5 ' HB ' HD21 ' A' ' 19' ' ' LEU . 27.0 pt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.926 0.393 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.4 -60.06 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.686 ' HA ' HD12 ' A' ' 23' ' ' LEU . 84.5 m-20 -55.82 -13.18 1.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 24' ' ' GLN . 12.6 tt0 -87.69 -59.73 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.511 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -40.43 -33.68 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.686 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.1 mt -71.91 -38.2 69.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 21' ' ' GLU . 17.0 mt-30 -54.43 -23.81 17.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.67 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 48.2 m0 -71.76 -23.56 61.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -70.97 -43.05 68.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -59.44 -54.71 43.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 m -134.9 137.91 43.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.633 HD23 ' NE2' ' A' ' 123' ' ' HIS . 9.1 tp -61.31 -42.36 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -39.14 -62.9 0.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.831 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' ASP . 15.0 mmtm -37.72 -44.21 0.7 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.554 HD21 ' HB2' ' A' ' 42' ' ' PHE . 29.2 tp -62.37 -62.67 1.59 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.94 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.599 HD13 ' CE3' ' A' ' 58' ' ' TRP . 90.7 mt -49.88 -44.05 49.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -56.86 -44.99 82.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -73.54 118.66 16.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -51.29 -50.76 58.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -56.78 -57.73 11.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.19 -45.09 74.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 33' ' ' LEU . 37.6 tp -58.04 -63.6 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.347 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.19 -50.67 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 p -64.72 -45.34 86.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.56 ' O ' HD13 ' A' ' 46' ' ' LEU . 27.1 t80 -52.74 -45.34 66.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -56.17 -62.79 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 t -42.06 -46.24 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 134' ' ' PHE . 43.8 t80 -53.07 -38.14 62.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.661 HD23 ' HA ' ' A' ' 52' ' ' GLU . 10.9 mp -70.79 -50.54 34.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -41.33 -45.59 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -64.2 -39.96 95.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -81.69 -12.34 58.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 70.14 30.47 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.2 m -122.97 28.44 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.661 ' HA ' HD23 ' A' ' 46' ' ' LEU . 11.5 tt0 -66.67 -20.82 66.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.954 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.439 ' CB ' ' HB3' ' A' ' 91' ' ' LYS . 4.0 pt-20 -59.7 -33.06 71.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.55 ' O ' HG21 ' A' ' 122' ' ' ILE . 2.7 m-20 -57.4 -44.58 84.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.636 HD22 ' CD1' ' A' ' 59' ' ' ILE . 1.1 tt -78.67 -48.25 15.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -40.33 -56.15 2.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -50.76 -34.49 27.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.599 ' CE3' HD13 ' A' ' 33' ' ' LEU . 67.5 t90 -70.21 -58.78 3.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.636 ' CD1' HD22 ' A' ' 55' ' ' LEU . 36.4 mt -50.52 -47.38 27.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.55 -42.72 97.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.443 ' HB2' ' NE2' ' A' ' 119' ' ' GLN . 38.1 m -54.97 -51.54 65.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -63.78 -34.5 78.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -71.18 -34.68 71.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.798 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.598 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -67.36 -32.17 72.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 -179.786 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' O ' HD22 ' A' ' 112' ' ' LEU . 33.3 mttt -65.84 -25.17 67.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -73.13 0.6 11.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.552 HG21 ' HB3' ' A' ' 72' ' ' LYS . 59.3 mt -89.44 138.26 19.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.51 -24.56 6.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -56.67 139.78 75.77 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.705 0.764 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -24.19 30.1 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.698 2.266 . . . . 0.0 112.386 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.59 -54.88 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.552 ' HB3' HG21 ' A' ' 67' ' ' ILE . 3.6 tptm -55.61 -51.84 65.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.438 ' HG3' HG22 ' A' ' 67' ' ' ILE . 11.8 mtp -47.16 -31.18 3.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.832 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.43 -62.72 1.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.21 -58.77 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.818 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 40.3 tptt -44.72 -45.0 9.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.429 ' HB2' ' HE2' ' A' ' 64' ' ' TYR . . . -51.39 -50.6 59.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.499 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 3.6 pttp -57.84 -40.15 79.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.499 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 30.3 mt-30 -52.12 -55.79 18.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 24.8 mt -56.4 -30.12 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.6 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -75.75 -46.71 29.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.499 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.8 mt-10 -65.55 -8.37 19.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.867 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 10.2 tt0 -104.95 -53.35 2.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -100.18 -53.95 3.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.557 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.01 26.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.762 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -106.11 154.0 21.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.506 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 44.2 m -62.69 130.69 46.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 87' ' ' THR . 7.9 pt-20 46.01 27.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.867 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -51.88 162.1 0.83 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.584 0.707 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.618 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.6 Cg_endo -69.77 -29.17 24.23 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.396 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 93' ' ' VAL . 9.6 mtpp -124.54 20.19 8.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.451 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 29.3 tt0 -41.88 91.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.6 HG23 HG12 ' A' ' 95' ' ' ILE . 25.6 m -50.84 175.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -92.24 100.19 12.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.6 HG12 HG23 ' A' ' 93' ' ' VAL . 1.4 pt -148.8 113.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -52.52 162.05 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -50.47 -37.38 38.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -49.64 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.6 m -59.71 -50.07 75.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.083 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.69 -49.59 10.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.41 -47.23 84.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.4 mm -42.39 -66.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.501 ' OG1' ' HB2' ' A' ' 118' ' ' ALA . 99.1 m -40.72 -53.01 2.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.164 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.5 mtp -46.22 -56.59 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.4 mtpp -60.11 -18.82 50.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -92.64 6.53 47.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.484 HD11 ' CD2' ' A' ' 81' ' ' TYR . 37.4 mt -92.04 -1.79 57.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.425 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 15.3 t -79.34 -59.33 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.132 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.523 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 11.1 mt-10 -120.67 49.71 1.67 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.702 0.763 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.75 134.57 28.33 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.65 2.233 . . . . 0.0 112.365 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.447 ' O ' HD23 ' A' ' 112' ' ' LEU . 23.2 t -126.55 -72.61 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 111' ' ' SER . 70.9 mt -133.45 -40.67 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 t -92.81 21.24 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.816 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 p -57.38 -48.04 80.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.458 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 91.0 m-85 -101.86 41.93 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -56.14 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.402 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 2.2 tpp -59.48 -66.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.501 ' HB2' ' OG1' ' A' ' 103' ' ' THR . . . -45.91 -40.44 10.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 7.7 tt0 -61.32 -56.59 18.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 117' ' ' MET . 2.7 pttp -62.89 -30.96 71.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.492 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -62.8 -52.37 63.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.826 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.569 HG22 ' SD ' ' A' ' 126' ' ' MET . 3.9 mm -66.01 -51.51 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.633 ' NE2' HD23 ' A' ' 29' ' ' LEU . 9.4 t-80 -48.97 -43.34 39.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 128' ' ' LYS . . . -62.37 -22.38 66.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.402 ' HA ' ' HG2' ' A' ' 128' ' ' LYS . 0.2 OUTLIER -86.93 -57.36 3.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.569 ' SD ' HG22 ' A' ' 122' ' ' ILE . 2.3 ptt? -58.85 -9.79 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.799 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.0 pt-20 -96.6 -22.48 17.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 132' ' ' PRO . 23.6 pttt -109.12 -9.47 15.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -111.8 -65.36 1.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 133' ' ' ARG . 16.7 m -73.47 -60.54 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.799 HD23 ' O ' ' A' ' 127' ' ' GLU . 2.5 tp -33.0 -56.63 0.55 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.7 Cg_endo -69.72 -26.84 27.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.65 2.233 . . . . 0.0 112.403 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 130' ' ' SER . 80.8 mtt-85 -87.56 -12.43 45.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.568 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 11.9 t80 -85.2 -39.68 17.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.472 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 36.0 m -59.26 -35.34 57.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -66.51 -36.31 82.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 49.7 p -65.84 142.26 57.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.96 -38.47 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -39.62 -36.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.719 ' HA ' HD12 ' A' ' 143' ' ' LEU . 54.5 t80 -86.45 -47.24 9.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -48.85 -34.75 13.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -77.54 -24.59 49.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 140' ' ' TYR . 48.9 mt -70.96 -32.43 69.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.511 HG22 ' HB3' ' A' ' 22' ' ' ALA . 23.9 pt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.896 0.379 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -44.08 -63.09 0.94 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.637 ' HA ' HD12 ' A' ' 23' ' ' LEU . 3.7 t70 -44.57 -24.18 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 24' ' ' GLN . 7.0 tt0 -82.01 -60.19 2.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.425 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -39.0 -34.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.7 mt -71.56 -38.95 70.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 21' ' ' GLU . 21.5 mt-30 -56.08 -23.28 32.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.511 ' CD1' ' HA ' ' A' ' 32' ' ' LEU . 48.5 m0 -69.62 -15.59 63.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.449 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 15.9 mtp-105 -80.5 -31.64 37.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -62.84 -58.89 5.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 t -135.66 127.13 28.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.42 HD11 ' CE2' ' A' ' 42' ' ' PHE . 4.2 tp -51.91 -30.97 26.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -54.27 -52.83 60.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.877 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HE2' ' O ' ' A' ' 24' ' ' GLN . 9.0 mtmm -52.75 -27.58 18.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.511 ' HA ' ' CD1' ' A' ' 25' ' ' TRP . 26.3 tp -78.34 -50.41 11.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.8 mt -60.26 -42.52 95.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -54.56 -45.84 73.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -71.94 117.76 13.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -47.54 -54.12 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.446 ' CE2' ' CD2' ' A' ' 143' ' ' LEU . 2.4 t80 -51.77 -60.59 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.93 -50.51 50.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.489 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.0 tp -54.16 -62.14 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -40.18 -59.85 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.0 p -59.98 -41.2 91.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 29' ' ' LEU . 23.6 t80 -55.77 -46.55 77.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.789 ' HG2' HD13 ' A' ' 55' ' ' LEU . 38.7 mtpt -55.01 -66.19 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' LYS . 11.9 t -38.13 -53.94 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -41.95 -45.74 3.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.817 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' GLU . 89.1 mt -63.28 -56.31 17.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.422 ' HG2' ' CD ' ' A' ' 52' ' ' GLU . 29.4 mtmt -39.6 -40.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.954 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -70.35 -39.24 74.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' LEU . 15.0 mm-40 -85.55 2.61 44.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 63.32 30.38 15.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.408 ' C ' ' HB3' ' A' ' 46' ' ' LEU . 19.8 m -124.91 30.29 5.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.786 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.422 ' CD ' ' HG2' ' A' ' 47' ' ' LYS . 2.8 tt0 -71.76 -22.2 61.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -61.64 -36.23 80.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -52.2 -51.24 59.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.789 HD13 ' HG2' ' A' ' 43' ' ' LYS . 1.2 tt -66.73 -43.48 84.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -45.07 -58.4 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.444 ' CB ' HG11 ' A' ' 93' ' ' VAL . 36.2 t80 -48.3 -37.98 17.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -66.39 -60.43 2.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.695 HD11 HD22 ' A' ' 55' ' ' LEU . 38.2 mt -46.54 -43.73 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.56 92.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 62.1 m -48.4 -56.59 7.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -59.76 -40.3 87.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -66.15 -19.04 65.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.478 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 2.3 t80 -86.44 -34.4 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -60.57 -33.21 72.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -81.6 16.69 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.559 HG22 ' HG3' ' A' ' 73' ' ' MET . 35.1 mt -97.85 112.33 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.11 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.78 -34.58 11.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 m -41.62 133.7 2.19 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.626 0.727 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -24.72 29.32 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.675 2.25 . . . . 0.0 112.369 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -94.3 -34.78 12.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.065 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.477 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 2.9 tptt -70.57 -46.66 63.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.559 ' HG3' HG22 ' A' ' 67' ' ' ILE . 13.3 mtp -49.92 -37.02 29.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.47 -56.51 3.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 17.8 mm-40 -52.99 -52.92 56.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.472 ' HG2' ' CD1' ' A' ' 67' ' ' ILE . 26.8 tptp -53.3 -45.47 68.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.75 -52.2 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -35.54 77.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -59.53 -48.82 80.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.429 ' CG1' ' HZ3' ' A' ' 76' ' ' LYS . 52.7 mt -64.61 -32.2 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.072 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.627 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -74.55 -43.33 56.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.526 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.5 mm-40 -66.18 -8.6 25.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.85 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 16.2 tt0 -106.36 -52.38 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 92' ' ' GLU . 60.6 m-85 -101.07 -55.14 2.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.742 HG22 ' HE2' ' A' ' 100' ' ' LYS . 1.2 mm -78.98 28.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.661 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.87 151.22 24.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.884 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.515 HG22 ' HG3' ' A' ' 88' ' ' GLU . 30.7 m -60.45 123.28 16.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.515 ' HG3' HG22 ' A' ' 87' ' ' THR . 28.0 mt-10 51.99 27.9 4.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.85 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -51.08 161.94 0.66 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.529 0.681 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.628 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 52.9 Cg_endo -69.77 -31.4 20.57 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.668 2.245 . . . . 0.0 112.3 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -123.57 19.03 9.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.973 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.659 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 7.9 tt0 -44.23 99.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.444 HG11 ' CB ' ' A' ' 57' ' ' PHE . 27.7 m -53.22 179.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.157 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -94.3 99.41 11.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.3 pt -145.54 111.31 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -48.63 157.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -47.28 -42.64 21.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.408 ' O ' HG12 ' A' ' 102' ' ' ILE . 15.6 t80 -47.72 -63.22 1.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.4 m -65.79 -54.14 31.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.742 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -43.24 -42.38 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.68 -44.49 86.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 98' ' ' PHE . 19.3 mm -42.95 -64.2 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.2 m -42.02 -53.71 3.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.1 mtp -48.74 -55.51 11.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -61.25 -12.34 12.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -102.15 7.04 41.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.591 HD11 ' CD2' ' A' ' 81' ' ' TYR . 64.2 mt -91.33 2.64 56.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.474 HG13 ' HG2' ' A' ' 109' ' ' GLU . 1.4 p -84.41 -42.76 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.543 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 0.2 OUTLIER -134.84 48.25 2.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.567 0.699 . . . . 0.0 110.86 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.65 126.4 13.34 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -123.05 -67.84 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.9 mt -133.71 -43.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.7 m -87.82 19.61 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.405 ' HB2' ' CD1' ' A' ' 115' ' ' PHE . 4.3 m -47.18 -57.93 4.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.411 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 13.1 m-85 -101.96 40.61 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.815 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -64.65 -42.07 95.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 6.5 tpp -76.28 -57.26 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.97 -41.11 64.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.029 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.411 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 40.1 tt0 -61.64 -54.18 46.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.937 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -65.2 -31.1 72.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.509 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -64.14 -57.06 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.428 ' HA ' HD13 ' A' ' 122' ' ' ILE . 7.5 mm -62.33 -43.81 98.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -56.73 -37.65 71.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.37 -21.58 62.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.409 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -83.01 -42.41 17.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 46.2 mtm -71.81 -10.61 60.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.816 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.834 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.4 pt-20 -98.78 -24.75 14.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.45 -4.71 15.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 44.7 t0 -116.17 -65.29 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 134' ' ' PHE . 16.7 m -76.55 -56.83 4.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.834 HD23 ' O ' ' A' ' 127' ' ' GLU . 6.8 tp -35.27 -54.58 1.13 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.647 0.737 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 54.0 Cg_endo -69.71 -25.82 28.44 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.62 2.213 . . . . 0.0 112.363 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 130' ' ' SER . 47.7 mtt180 -91.36 -12.5 34.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 130' ' ' SER . 29.3 t80 -85.45 -35.12 21.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.472 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 18.2 m -68.64 -32.36 54.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -67.5 -40.02 85.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.776 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 59.6 p -62.14 176.23 0.61 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 140' ' ' TYR . 1.6 tt0 -72.34 -42.74 65.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 138' ' ' GLU . 95.3 m-85 -35.3 -35.96 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.689 ' HA ' HD12 ' A' ' 143' ' ' LEU . 55.2 t80 -86.31 -49.14 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -48.99 -32.82 9.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -77.62 -25.27 49.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 140' ' ' TYR . 41.4 mt -74.46 -37.73 63.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.589 HD13 ' CE2' ' A' ' 140' ' ' TYR . 34.1 pt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.049 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -48.92 -60.18 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.585 ' HA ' HD12 ' A' ' 23' ' ' LEU . 7.9 t70 -56.0 -13.89 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 24' ' ' GLN . 8.5 tp10 -89.6 -57.76 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.46 -32.68 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.9 mt -73.71 -39.81 64.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' GLU . 14.4 mt-30 -55.2 -21.14 12.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.51 ' CE3' ' CD1' ' A' ' 32' ' ' LEU . 52.8 m0 -71.21 -23.23 61.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 12.6 mtp-105 -73.79 -35.36 64.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -55.64 -57.1 13.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.7 t -135.22 132.58 38.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.5 tp -52.21 -35.98 50.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.6 -60.51 3.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -39.19 -34.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.51 ' CD1' ' CE3' ' A' ' 25' ' ' TRP . 30.9 tp -72.64 -64.87 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.2 mt -48.95 -47.47 43.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -50.11 -47.3 54.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -72.83 127.29 32.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -56.77 -50.99 70.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.57 ' CE2' HD23 ' A' ' 143' ' ' LEU . 2.4 t80 -53.5 -57.62 10.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.415 ' CA ' ' CH2' ' A' ' 25' ' ' TRP . . . -59.18 -42.11 97.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.43 -61.97 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.07 -49.54 6.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.046 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.8 m -68.31 -44.48 75.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -53.45 -40.98 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.651 ' HG2' HD13 ' A' ' 55' ' ' LEU . 37.6 mtpt -62.94 -64.65 0.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.842 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.6 t -43.45 -38.03 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.801 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.495 ' CD2' HD12 ' A' ' 46' ' ' LEU . 26.2 t80 -58.59 -41.17 85.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.829 HD23 ' HA ' ' A' ' 52' ' ' GLU . 7.3 mp -68.32 -49.81 57.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.436 ' HG3' ' CD ' ' A' ' 52' ' ' GLU . 36.0 mtpt -39.81 -40.73 1.01 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.892 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.1 t -67.19 -42.8 83.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 46' ' ' LEU . 5.2 mm-40 -82.04 -3.92 55.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 62.23 30.48 17.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.7 m -122.34 30.25 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.829 ' HA ' HD23 ' A' ' 46' ' ' LEU . 13.4 tt0 -74.51 -22.5 59.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 91' ' ' LYS . 3.9 pt-20 -53.08 -37.37 61.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.426 ' O ' HG21 ' A' ' 122' ' ' ILE . 2.0 m-20 -57.65 -39.46 77.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.666 HD22 HD11 ' A' ' 59' ' ' ILE . 1.4 tt -73.52 -50.14 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -40.93 -53.32 2.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -50.73 -37.93 44.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 55.7 t90 -67.31 -60.09 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.666 HD11 HD22 ' A' ' 55' ' ' LEU . 22.9 mt -47.28 -45.33 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.81 -44.65 95.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.064 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 63.3 m -47.76 -56.88 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.816 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -56.8 -47.23 80.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.81 -21.36 60.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.512 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.5 t80 -83.77 -32.85 25.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.967 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -67.06 -34.92 78.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.8 24.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.502 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 34.3 mt -91.05 98.01 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 22.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -109.06 130.05 23.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.665 0.745 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -14.49 36.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.732 2.288 . . . . 0.0 112.328 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.0 -48.61 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.042 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.502 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -60.67 -42.4 97.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.452 ' HG3' ' CG2' ' A' ' 67' ' ' ILE . 5.1 mtp -49.4 -39.8 33.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -89.33 -57.84 2.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -49.85 -59.58 3.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.429 ' HB2' ' HG3' ' A' ' 72' ' ' LYS . 27.7 tptt -47.58 -49.78 25.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -39.72 -50.47 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 0.1 OUTLIER -62.96 -35.76 81.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 76' ' ' LYS . 49.8 mt-30 -57.93 -54.34 48.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.3 mt -58.62 -28.91 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.683 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.5 OUTLIER -77.24 -46.63 22.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.497 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 14.7 mm-40 -65.94 -8.39 22.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.906 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 12.8 tt0 -104.83 -52.69 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -100.84 -53.44 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.545 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.29 26.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.547 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.51 149.24 26.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.473 HG22 ' HG3' ' A' ' 88' ' ' GLU . 81.4 m -57.07 129.84 43.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.473 ' HG3' HG22 ' A' ' 87' ' ' THR . 9.9 mt-10 46.09 32.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.906 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -53.38 159.9 2.04 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.646 0.736 . . . . 0.0 111.08 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.0 Cg_endo -69.82 -31.56 20.03 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 53' ' ' GLU . 8.3 mtpp -123.39 17.37 9.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.755 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 35.1 tt0 -42.19 101.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.4 m -58.93 177.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -91.44 100.6 13.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.51 112.91 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.55 164.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -52.05 -35.61 47.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -51.61 -70.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 29.3 m -59.15 -49.36 78.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.47 -51.92 14.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -56.96 -47.63 80.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.3 mm -42.82 -65.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.2 m -40.79 -55.16 2.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mtp -44.53 -56.84 3.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.864 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -59.99 -21.02 60.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -91.11 5.0 50.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.683 HD11 ' CD2' ' A' ' 81' ' ' TYR . 61.5 mt -90.49 -2.64 57.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.0 t -76.88 -57.99 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 1.7 pt-20 -124.93 51.02 4.6 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.623 0.725 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 52.8 Cg_endo -69.78 128.3 15.81 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.703 2.268 . . . . 0.0 112.321 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.8 m -123.51 -65.87 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 112' ' ' LEU . 12.1 mt -134.73 -45.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 91.4 p -88.03 21.64 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 6.4 p -55.73 -44.04 77.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -111.31 37.07 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.04 -41.58 95.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.417 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 4.1 tpp -77.23 -58.29 3.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.04 -41.02 33.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -63.01 -57.81 9.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 117' ' ' MET . 3.7 pttp -60.4 -31.35 70.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.433 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -63.43 -53.44 52.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.426 HG21 ' O ' ' A' ' 54' ' ' ASN . 7.1 mm -68.22 -49.56 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -50.19 -40.11 46.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' A' ' 128' ' ' LYS . . . -69.46 -27.43 65.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.043 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -80.45 -30.14 37.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 64.7 mtm -80.81 -9.24 59.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.647 ' O ' HD23 ' A' ' 131' ' ' LEU . 2.8 pt-20 -97.91 -24.6 15.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 124' ' ' ALA . 3.0 pttp -110.93 -6.94 14.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 7.0 t70 -112.38 -65.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 133' ' ' ARG . 16.1 m -76.91 -58.34 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 127' ' ' GLU . 3.9 tp -34.06 -54.65 0.83 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.626 0.726 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.6 Cg_endo -69.78 -27.98 25.69 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.762 2.308 . . . . 0.0 112.31 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 130' ' ' SER . 71.4 mtt-85 -86.92 -13.55 44.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.467 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.4 t80 -84.34 -51.35 7.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.456 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 34.4 m -53.26 -25.6 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -70.59 -45.01 66.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 23.6 p -61.94 141.22 58.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.77 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 138' ' ' GLU . 0.2 OUTLIER -42.96 -36.94 1.71 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.91 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 138' ' ' GLU . 88.4 m-85 -37.28 -38.95 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.769 ' HA ' HD12 ' A' ' 143' ' ' LEU . 70.8 t80 -85.11 -48.23 9.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -50.27 -31.92 15.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -77.23 -28.4 53.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.769 HD12 ' HA ' ' A' ' 140' ' ' TYR . 23.6 mt -66.76 -34.29 77.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 29.4 pt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -51.43 -52.27 47.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.974 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.667 ' HA ' HD12 ' A' ' 23' ' ' LEU . 8.7 m-20 -60.8 -17.47 49.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 24' ' ' GLN . 9.3 tt0 -85.09 -58.35 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.53 -35.55 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.092 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.667 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.0 mt -70.56 -37.35 73.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' GLU . 30.8 mt-30 -56.37 -23.46 37.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.484 ' HB3' HD13 ' A' ' 32' ' ' LEU . 48.2 m0 -70.62 -16.57 62.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 11.4 mtp-105 -78.83 -37.72 39.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -54.12 -58.3 7.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.0 m -135.47 132.14 37.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.8 tp -49.43 -42.11 41.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -45.84 -62.98 1.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.792 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 30' ' ' ASP . 4.2 mtpm? -36.25 -35.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.484 HD13 ' HB3' ' A' ' 25' ' ' TRP . 27.7 tp -74.16 -60.72 2.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.589 HD13 ' CE3' ' A' ' 58' ' ' TRP . 65.6 mt -51.22 -46.59 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -52.8 -45.88 67.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -71.76 125.38 27.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -55.79 -48.13 75.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -58.69 -57.94 10.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.87 -39.35 91.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.499 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.2 tp -64.14 -63.37 1.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 110.952 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.27 -51.92 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.2 m -67.14 -44.51 79.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.459 ' CE2' HD21 ' A' ' 33' ' ' LEU . 30.6 t80 -52.4 -46.83 66.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.607 ' HG2' HD13 ' A' ' 55' ' ' LEU . 36.4 mtpt -54.23 -64.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.3 t -39.46 -52.66 2.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.532 ' CD2' HD12 ' A' ' 46' ' ' LEU . 10.7 t80 -44.03 -40.2 4.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.532 HD12 ' CD2' ' A' ' 45' ' ' PHE . 10.1 mp -75.23 -50.96 14.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -40.62 -41.83 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.0 t -69.33 -39.65 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 46' ' ' LEU . 5.0 mm-40 -79.44 -9.19 59.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 68.86 31.53 4.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.9 m -127.54 31.36 5.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.785 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.463 ' HA ' HD23 ' A' ' 46' ' ' LEU . 10.2 tt0 -74.06 -23.55 59.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.476 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 8.6 pm0 -52.58 -35.65 54.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.476 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 12.9 m-20 -57.04 -41.62 78.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.681 HD22 ' CD1' ' A' ' 59' ' ' ILE . 1.1 tt -72.9 -44.01 61.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -45.99 -53.3 10.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.544 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 23.1 t80 -52.0 -32.29 33.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.589 ' CE3' HD13 ' A' ' 33' ' ' LEU . 33.3 t90 -73.62 -61.33 1.87 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.681 ' CD1' HD22 ' A' ' 55' ' ' LEU . 31.9 mt -48.37 -45.63 13.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.05 -52.2 66.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.059 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 57.2 m -44.9 -61.1 1.74 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -51.88 -43.1 63.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' A' ' 66' ' ' LYS . 7.3 t70 -64.14 -22.95 67.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.814 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.586 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -83.88 -21.67 31.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.81 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -66.88 -34.59 78.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 63' ' ' ASP . 12.3 ptpt -82.8 25.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.547 HG22 ' HG3' ' A' ' 73' ' ' MET . 29.1 mt -102.17 108.46 23.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.03 -32.69 13.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 m -45.39 133.24 5.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.657 0.742 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -21.9 32.74 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.665 2.244 . . . . 0.0 112.352 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.501 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -95.23 -35.94 11.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.483 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -70.83 -46.94 61.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.547 ' HG3' HG22 ' A' ' 67' ' ' ILE . 8.9 mtp -48.28 -38.28 18.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.7 -54.82 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.111 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 12.3 mm-40 -52.98 -55.94 19.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 17.4 tptm -54.33 -42.66 70.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.78 -50.28 45.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.56 -35.88 81.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -56.45 -49.68 73.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.2 mt -63.58 -30.81 50.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.638 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -76.45 -38.91 54.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 16.3 mm-40 -72.59 -11.04 60.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.598 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 17.9 tt0 -106.11 -39.91 5.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.412 ' C ' ' H ' ' A' ' 86' ' ' GLN . 79.2 m-85 -110.94 -57.73 2.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.564 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.3 mm -77.88 28.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.571 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -108.27 153.41 23.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.974 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.513 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 23.4 m -60.11 132.06 52.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.11 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.479 ' HG2' HG22 ' A' ' 87' ' ' THR . 18.5 pt-20 44.2 27.47 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.598 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -48.32 157.14 0.71 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.465 0.65 . . . . 0.0 111.164 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.0 Cg_endo -69.75 -26.14 27.91 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.743 2.295 . . . . 0.0 112.305 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -124.36 17.19 9.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.421 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 2.7 tp10 -38.95 127.16 1.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.452 HG23 HG12 ' A' ' 95' ' ' ILE . 16.1 m -89.79 173.05 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -85.89 98.52 10.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.452 HG12 HG23 ' A' ' 93' ' ' VAL . 1.7 pt -150.43 111.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -52.35 161.38 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -50.03 -36.28 28.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -50.94 -66.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 51.3 m -64.09 -48.53 75.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.09 -48.55 22.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.936 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -57.83 -45.59 85.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 31.0 mm -43.01 -66.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 97.0 m -40.25 -55.27 2.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.5 mtp -44.56 -57.89 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -59.54 -21.41 60.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -90.56 5.89 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.524 HD11 ' CD2' ' A' ' 81' ' ' TYR . 42.1 mt -91.58 -2.14 57.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.4 t -77.98 -58.32 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.513 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 7.1 mt-10 -123.26 50.45 3.1 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.671 0.748 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.9 Cg_endo -69.75 139.67 40.84 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.72 2.28 . . . . 0.0 112.371 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.0 m -133.67 -69.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.4 mt -133.02 -44.99 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.7 p -86.28 18.75 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.0 m -48.49 -53.67 17.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -102.61 40.12 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.51 -40.26 92.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 8.0 tpp -78.37 -59.04 2.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.544 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -50.05 -39.57 42.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.064 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.436 ' NE2' ' CD1' ' A' ' 58' ' ' TRP . 7.2 tp60 -62.83 -56.82 14.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -63.0 -29.78 71.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.481 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -64.3 -56.15 16.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 122' ' ' ILE . 11.4 mm -65.62 -41.78 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -55.8 -38.31 69.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 127' ' ' GLU . . . -69.97 -19.38 63.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -86.22 -53.68 4.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.455 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 29.9 mtm -61.03 -10.41 5.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.814 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.581 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.8 pt-20 -97.67 -23.9 15.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.434 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -111.86 -4.66 14.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.6 t0 -114.07 -65.75 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 133' ' ' ARG . 8.8 p -78.72 -55.55 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.619 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.6 tp -36.72 -53.23 1.86 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.615 0.721 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.8 Cg_endo -69.68 -25.34 29.06 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.39 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 130' ' ' SER . 14.1 mmt180 -91.29 -13.26 32.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.468 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 23.1 t80 -84.1 -41.55 17.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.501 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 29.3 m -60.52 -37.68 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -64.74 -46.68 81.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 17.4 p -58.27 139.29 55.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 139' ' ' PHE . 3.6 mt-10 -42.19 -38.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 138' ' ' GLU . 95.7 m-85 -37.01 -36.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.792 ' HA ' HD12 ' A' ' 143' ' ' LEU . 48.4 t80 -90.39 -42.87 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -51.76 -33.08 33.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -75.58 -23.86 56.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.792 HD12 ' HA ' ' A' ' 140' ' ' TYR . 38.3 mt -71.85 -35.36 69.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 25.6 pt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.854 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.904 0.383 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.89 -63.0 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.605 ' HA ' HD12 ' A' ' 23' ' ' LEU . 3.3 t70 -52.66 -16.14 0.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 24' ' ' GLN . 3.1 tp10 -85.89 -57.15 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.428 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -40.33 -33.88 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.9 mt -72.58 -39.82 67.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 21' ' ' GLU . 17.0 mt-30 -56.13 -19.44 13.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.465 ' HB3' HD13 ' A' ' 32' ' ' LEU . 49.6 m0 -73.03 -21.16 60.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.524 ' HG2' HG11 ' A' ' 135' ' ' VAL . 74.4 mtp180 -78.92 -34.33 44.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.82 -56.02 27.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 t -134.83 127.22 30.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.849 HD21 ' SD ' ' A' ' 126' ' ' MET . 6.3 tp -51.98 -34.43 42.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -56.81 -42.83 80.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -57.6 -27.97 63.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.465 HD13 ' HB3' ' A' ' 25' ' ' TRP . 24.0 tp -80.1 -53.23 6.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.9 mt -56.76 -52.53 64.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.485 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 3.6 pt20 -45.8 -28.28 1.03 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.485 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 5.2 m120 -91.24 127.91 36.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -45.85 92.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -59.49 -58.81 6.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.41 -37.95 89.31 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' ALA . 49.6 tp -62.37 -64.75 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -37.74 -57.75 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.3 t -59.35 -42.94 92.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.811 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -52.99 -38.59 62.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.598 ' HG2' HD13 ' A' ' 55' ' ' LEU . 36.3 mtpt -69.78 -63.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.9 t -44.08 -37.96 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CE2' ' OE2' ' A' ' 49' ' ' GLU . 23.7 t80 -61.65 -47.83 83.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.925 HD23 ' OE2' ' A' ' 49' ' ' GLU . 34.3 mt -55.54 -39.71 70.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -53.49 -36.34 61.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m -68.42 -38.63 81.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.925 ' OE2' HD23 ' A' ' 46' ' ' LEU . 2.5 pt-20 -90.5 -5.92 55.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 68.02 25.7 7.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -111.16 25.64 11.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.508 ' HA ' HD13 ' A' ' 46' ' ' LEU . 2.7 tt0 -72.04 -14.56 61.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.412 ' O ' HG12 ' A' ' 93' ' ' VAL . 3.6 pt-20 -68.5 -29.12 67.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.59 ' O ' HG21 ' A' ' 122' ' ' ILE . 6.7 m-20 -65.82 -47.82 73.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.598 HD13 ' HG2' ' A' ' 43' ' ' LYS . 0.8 OUTLIER -65.51 -49.42 69.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -38.89 -59.13 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.68 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 15.7 t80 -44.76 -37.87 4.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 48.1 t90 -68.83 -67.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.579 ' CD1' HD22 ' A' ' 55' ' ' LEU . 33.7 mt -39.53 -47.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.01 -50.8 72.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 55.7 m -43.52 -53.57 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.75 -46.42 87.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -61.03 -20.88 63.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.586 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -86.38 -30.69 21.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.86 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -67.29 -30.4 70.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -82.75 19.45 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.499 HG22 ' HG3' ' A' ' 73' ' ' MET . 43.2 mt -93.74 105.82 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -84.0 -25.13 30.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.406 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 2.1 m -62.52 139.26 96.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -46.02 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.76 -60.6 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.477 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -44.39 -57.33 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.499 ' HG3' HG22 ' A' ' 67' ' ' ILE . 12.9 mtp -39.53 -36.01 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.8 -61.44 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.091 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -50.45 -56.68 10.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 41.0 tptt -50.68 -44.5 57.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.548 ' HB2' ' HE2' ' A' ' 64' ' ' TYR . . . -48.53 -50.43 31.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.053 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.497 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 4.7 pttp -60.35 -38.84 85.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.497 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 12.8 mt-30 -53.27 -54.81 30.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.2 mt -57.5 -25.88 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.606 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -80.25 -45.38 18.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.486 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 11.0 mt-10 -66.71 -8.26 26.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.898 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 12.8 tt0 -104.98 -52.88 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -100.51 -53.62 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.549 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -78.9 25.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.621 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.53 153.8 21.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.513 HG22 ' HG2' ' A' ' 88' ' ' GLU . 22.9 m -58.24 135.49 57.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.513 ' HG2' HG22 ' A' ' 87' ' ' THR . 19.6 pt-20 38.53 31.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.898 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -51.62 160.74 0.97 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.672 0.749 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.589 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.5 Cg_endo -69.78 -32.94 17.48 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -121.37 13.32 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.823 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 32.7 tt0 -39.51 99.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.467 HG23 HG12 ' A' ' 95' ' ' ILE . 27.3 m -57.81 -179.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -95.49 100.02 11.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.467 HG12 HG23 ' A' ' 93' ' ' VAL . 0.9 OUTLIER -144.28 114.25 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -51.79 161.5 0.53 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -50.29 -38.24 40.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.805 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -49.76 -68.74 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.438 HG21 ' HG3' ' A' ' 121' ' ' ARG . 71.4 m -60.12 -51.34 70.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.77 -50.58 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.33 -49.26 77.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 22.2 mm -41.84 -62.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 95.1 m -43.44 -52.35 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.0 mtp -48.16 -55.28 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -61.36 -20.28 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -91.55 6.65 44.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.482 HD11 ' CD2' ' A' ' 81' ' ' TYR . 36.9 mt -92.76 -2.68 55.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.1 t -77.78 -58.31 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 4.4 mm-40 -123.26 50.94 3.38 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.735 0.779 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.1 Cg_endo -69.71 136.62 33.59 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.3 t -130.81 -67.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.3 mt -134.13 -44.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.6 p -87.83 20.43 3.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.2 p -57.42 -36.88 71.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -116.42 37.55 3.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -69.64 -44.14 71.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 4.3 tpp -72.8 -58.71 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.68 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -50.73 -45.31 58.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -58.07 -57.18 13.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -27.84 69.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.438 ' HG3' HG21 ' A' ' 99' ' ' THR . 0.1 OUTLIER -65.31 -53.35 45.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.59 HG21 ' O ' ' A' ' 54' ' ' ASN . 10.6 mm -68.2 -47.67 77.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.711 ' CE1' HD23 ' A' ' 29' ' ' LEU . 7.7 t-80 -53.22 -36.0 60.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 128' ' ' LYS . . . -71.54 -21.99 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.055 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.5 -45.5 10.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.849 ' SD ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -66.1 -9.57 32.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.834 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.933 ' O ' HD23 ' A' ' 131' ' ' LEU . 3.4 pt-20 -95.78 -22.06 17.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 124' ' ' ALA . 7.0 pttp -111.36 -9.96 14.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -106.85 -66.85 0.98 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 133' ' ' ARG . 98.7 p -79.04 -57.76 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.933 HD23 ' O ' ' A' ' 127' ' ' GLU . 3.3 tp -30.82 -55.33 0.39 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.627 0.727 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.607 ' O ' HG22 ' A' ' 135' ' ' VAL . 53.6 Cg_endo -69.66 -33.95 15.92 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.417 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 130' ' ' SER . 38.7 mtp85 -80.29 -13.17 59.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.555 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 21.9 t80 -86.84 -32.43 20.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 132' ' ' PRO . 35.0 m -70.62 -29.4 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 19.0 mtt85 -69.21 -41.75 76.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 86.7 p -61.25 165.25 4.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 139' ' ' PHE . 2.2 tt0 -62.53 -40.05 95.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 138' ' ' GLU . 97.5 m-85 -35.74 -41.32 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.796 ' HA ' HD12 ' A' ' 143' ' ' LEU . 63.7 t80 -84.71 -50.35 7.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -46.3 -33.73 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 2.7 pt-20 -76.56 -32.03 57.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.796 HD12 ' HA ' ' A' ' 140' ' ' TYR . 33.9 mt -61.96 -34.42 76.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.428 HG22 ' HB3' ' A' ' 22' ' ' ALA . 31.9 pt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.13 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.413 -0.275 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 m -144.72 113.64 6.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.928 0.394 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -62.74 129.25 39.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.05 152.52 20.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.432 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 t -138.11 128.32 25.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.833 0.349 . . . . 0.0 110.842 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.5 p -79.96 177.21 9.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.5 161.54 31.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -178.9 2.58 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.342 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -139.37 -179.19 5.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -113.88 145.83 34.33 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.576 0.703 . . . . 0.0 110.869 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.84 -174.19 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.305 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.4 -178.98 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 tttp -123.78 171.69 9.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -174.77 173.4 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -46.78 170.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -131.64 -69.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.525 HG21 ' CH2' ' A' ' 25' ' ' TRP . 1.3 m -158.07 142.41 16.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.99 162.85 13.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -57.51 11.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.55 ' HA ' HD12 ' A' ' 23' ' ' LEU . 10.2 t70 -54.9 -13.87 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 24' ' ' GLN . 6.0 tp10 -91.46 -58.28 2.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.17 -33.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.201 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.2 mt -72.64 -37.19 68.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' GLU . 34.7 mt-30 -54.43 -22.62 13.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.583 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 51.9 m0 -72.57 -23.56 60.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -69.32 -42.48 75.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.62 -59.09 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 m -130.13 132.6 46.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.486 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 7.1 tp -57.7 -42.14 83.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -39.39 -60.86 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -39.03 -41.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.524 ' CD1' ' CE3' ' A' ' 25' ' ' TRP . 28.2 tp -64.27 -66.32 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.502 HD13 ' CD2' ' A' ' 58' ' ' TRP . 70.3 mt -47.47 -47.65 27.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.984 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -52.92 -44.85 67.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -71.58 123.29 22.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -55.3 -45.04 76.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.416 ' CE2' HD23 ' A' ' 143' ' ' LEU . 2.1 t80 -61.74 -58.36 8.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.7 -40.48 88.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.01 -62.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.0 -50.64 4.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.081 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -67.16 -45.1 78.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -51.96 -45.82 64.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.609 ' HG2' HD13 ' A' ' 55' ' ' LEU . 35.8 mtpt -54.59 -64.46 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.9 t -41.29 -49.2 3.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -47.41 -49.98 23.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.495 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 89.8 mt -62.59 -53.3 56.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -39.96 -38.89 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.8 t -74.35 -39.02 63.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.548 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 23.3 mm-40 -86.62 18.72 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 35.5 p90 45.75 28.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.74 25.65 10.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -69.99 -19.21 63.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.0 pm0 -66.0 -25.68 67.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.443 ' C ' ' SD ' ' A' ' 126' ' ' MET . 21.2 m-20 -64.47 -47.27 79.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.68 HD22 HD11 ' A' ' 59' ' ' ILE . 1.2 tt -69.74 -43.66 71.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -44.18 -59.17 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.524 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 26.8 t80 -48.26 -34.04 9.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.502 ' CD2' HD13 ' A' ' 33' ' ' LEU . 55.2 t90 -70.03 -60.27 2.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.68 HD11 HD22 ' A' ' 55' ' ' LEU . 27.6 mt -48.58 -48.6 14.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.87 -47.86 79.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 58.8 m -46.83 -56.66 5.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -56.91 -44.15 82.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.95 -17.03 61.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.582 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -90.95 -32.18 16.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -62.54 -34.05 76.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -82.58 21.77 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.576 HG22 ' HG3' ' A' ' 73' ' ' MET . 33.2 mt -98.69 111.27 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 69' ' ' SER . 2.5 pptp? -91.33 -34.69 14.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.441 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 3.3 m -45.43 131.8 6.12 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.621 0.724 . . . . 0.0 110.845 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -23.75 30.29 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -89.94 -44.5 9.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 2.4 tptm -62.79 -50.31 71.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.576 ' HG3' HG22 ' A' ' 67' ' ' ILE . 10.0 mtp -44.26 -37.79 3.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -89.62 -60.67 1.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -49.05 -57.16 7.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 18.5 tptm -49.77 -43.58 48.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -49.38 -50.79 38.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.028 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -60.76 -33.93 73.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -58.74 -53.96 52.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.4 mt -58.11 -33.16 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.605 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -73.72 -46.22 47.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 5.0 mm-40 -66.4 -8.34 25.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.847 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 10.3 tt0 -103.83 -51.59 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.435 ' C ' ' H ' ' A' ' 86' ' ' GLN . 70.8 m-85 -103.21 -54.5 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.542 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -77.01 25.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.179 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.503 ' HB2' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -105.21 147.6 27.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.441 HG22 ' HG2' ' A' ' 88' ' ' GLU . 21.8 m -53.65 127.24 24.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.441 ' HG2' HG22 ' A' ' 87' ' ' THR . 3.7 mm-40 44.72 33.64 1.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.847 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -51.87 162.78 0.73 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.623 0.725 . . . . 0.0 111.078 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.667 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.8 Cg_endo -69.71 -33.11 17.42 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.676 2.25 . . . . 0.0 112.338 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 92' ' ' GLU . 11.1 mtpp -121.55 14.79 11.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.618 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 37.7 tt0 -36.38 105.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.525 HG23 HG12 ' A' ' 95' ' ' ILE . 33.8 m -63.58 177.53 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -91.61 96.58 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.525 HG12 HG23 ' A' ' 93' ' ' VAL . 1.3 pt -144.68 112.77 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -51.44 164.08 0.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -53.11 -34.38 56.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.402 ' O ' HG12 ' A' ' 102' ' ' ILE . 18.1 t80 -52.15 -70.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.427 HG21 ' HG3' ' A' ' 121' ' ' ARG . 48.3 m -59.26 -48.06 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.188 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.495 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -47.13 -51.64 17.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -55.67 -46.95 77.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 98' ' ' PHE . 26.6 mm -43.51 -66.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 118' ' ' ALA . 70.2 m -39.9 -53.16 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mtp -46.71 -56.46 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -60.88 -19.13 59.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -92.66 6.06 48.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.522 HD11 ' CD2' ' A' ' 81' ' ' TYR . 37.1 mt -92.18 -2.45 56.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.7 t -78.0 -58.39 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.506 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 8.3 mt-10 -122.78 50.38 2.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.604 0.716 . . . . 0.0 110.775 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.4 Cg_endo -69.66 137.81 36.64 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.704 2.269 . . . . 0.0 112.383 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.9 m -131.93 -68.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.0 mt -133.4 -45.22 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 72.8 m -90.11 22.19 3.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.42 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 3.6 p -55.22 -42.15 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -108.87 38.28 2.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -63.13 -50.87 68.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.408 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 5.4 tpp -67.85 -58.74 4.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.524 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -46.99 -43.46 19.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.01 -57.71 10.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 117' ' ' MET . 4.3 pttp -61.33 -27.19 68.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.439 ' HD2' ' C ' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -66.66 -56.59 9.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.808 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 122' ' ' ILE . 12.0 mm -65.99 -42.63 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -55.94 -37.11 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.72 -22.08 61.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.438 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -83.38 -42.8 16.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.443 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 41.0 mtm -71.79 -11.14 60.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.706 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.8 pt-20 -98.58 -24.67 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.823 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.423 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -110.96 -4.27 15.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 13.0 t70 -116.11 -65.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 134' ' ' PHE . 4.3 m -76.11 -55.23 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 127' ' ' GLU . 4.4 tp -38.17 -54.29 2.67 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.61 0.719 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.9 Cg_endo -69.7 -21.98 33.0 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.375 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 130' ' ' SER . 74.4 mtt180 -94.43 -13.28 26.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 130' ' ' SER . 26.3 t80 -85.6 -37.57 19.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.514 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 24.5 m -63.53 -37.29 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -66.99 -31.36 71.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.5 p -68.32 165.63 18.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 139' ' ' PHE . 0.8 OUTLIER -62.82 -49.01 76.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.466 ' C ' ' O ' ' A' ' 138' ' ' GLU . 65.1 m-85 -32.5 -37.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.734 ' HA ' HD12 ' A' ' 143' ' ' LEU . 54.2 t80 -82.16 -49.95 9.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 138' ' ' GLU . 67.2 mm-40 -47.54 -32.79 5.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -79.03 -26.05 43.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' A' ' 140' ' ' TYR . 25.0 mt -74.38 -32.95 62.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.715 HD13 ' CE2' ' A' ' 140' ' ' TYR . 30.2 pt -104.2 -43.45 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.49 ' N ' HG13 ' A' ' 144' ' ' ILE . 1.4 m -104.63 37.55 2.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.42 ' HA3' ' HD2' ' A' ' 147' ' ' PRO . . . -77.25 -144.51 1.93 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.543 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.42 ' HD2' ' HA3' ' A' ' 146' ' ' GLY . 53.8 Cg_endo -69.88 1.11 4.81 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.658 2.238 . . . . 0.0 112.32 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 8.9 t -113.9 172.88 6.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.804 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 29.4 t -91.94 161.34 14.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.552 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -160.03 134.64 7.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 110.835 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.9 p -154.38 172.59 17.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.838 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.8 170.66 38.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.508 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.0 p -172.93 173.67 3.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.3 p -163.94 178.05 8.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.01 141.79 8.01 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -173.24 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.626 2.217 . . . . 0.0 112.408 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -175.0 128.67 0.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.448 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 36.3 tttt -107.18 141.42 22.88 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.542 0.687 . . . . 0.0 110.948 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 10' ' ' LYS . 53.3 Cg_endo -69.77 -166.39 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.34 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.21 179.36 6.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.64 132.69 45.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.3 p -92.07 -179.02 5.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.199 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.498 ' O ' ' C ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -133.29 -174.2 3.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.498 ' C ' ' O ' ' A' ' 15' ' ' GLN . 25.9 mtmt -30.29 143.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.99 HG21 ' CH2' ' A' ' 25' ' ' TRP . 92.3 m -92.53 128.72 38.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 m -82.05 153.31 26.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 144' ' ' ILE . 0.4 OUTLIER -52.23 -58.83 5.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.942 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.711 ' HA ' HD12 ' A' ' 23' ' ' LEU . 11.9 t70 -51.77 -16.68 0.72 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.829 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' GLN . 9.3 tt0 -88.73 -58.11 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.558 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -42.31 -31.68 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.026 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.4 mt -73.47 -36.8 65.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' GLU . 45.7 mt-30 -55.7 -23.07 26.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.99 ' CH2' HG21 ' A' ' 17' ' ' THR . 33.9 m0 -70.81 -19.47 62.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.442 ' HG2' HG11 ' A' ' 135' ' ' VAL . 57.2 mtp180 -78.44 -45.78 21.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -53.12 -57.07 11.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -131.45 136.05 47.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.508 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 19.9 tp -55.56 -47.46 76.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 31' ' ' LYS . 14.0 t0 -40.05 -62.36 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -38.24 -33.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.584 HD13 ' HB3' ' A' ' 25' ' ' TRP . 28.6 tp -76.24 -61.95 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.1 mt -50.62 -51.75 45.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -50.16 -45.29 53.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -70.69 123.71 22.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -56.8 -46.38 81.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.408 ' CE2' HD23 ' A' ' 143' ' ' LEU . 2.3 t80 -59.86 -55.15 37.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.93 -41.7 97.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.71 -62.99 1.46 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.833 0.349 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.0 -55.21 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.8 p -61.26 -46.11 91.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.793 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -50.99 -39.14 54.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -61.35 -62.77 1.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 t -41.34 -43.72 2.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -55.53 -48.6 74.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 55' ' ' LEU . 93.7 mt -64.88 -57.28 9.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -43.18 -48.46 6.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -66.27 -38.54 88.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -84.1 -1.68 55.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' LEU . 35.9 m-85 65.39 35.74 7.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.427 ' O ' HD22 ' A' ' 46' ' ' LEU . 38.4 m -128.72 33.11 4.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -76.23 -25.08 54.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 pm0 -54.59 -31.59 57.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.456 ' C ' ' SD ' ' A' ' 126' ' ' MET . 2.8 m-20 -62.92 -48.47 78.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.722 HD22 ' CD1' ' A' ' 59' ' ' ILE . 1.1 tt -71.21 -45.97 62.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -43.26 -55.91 3.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 20.3 t80 -50.44 -32.99 19.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -73.22 -59.96 2.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.722 ' CD1' HD22 ' A' ' 55' ' ' LEU . 36.6 mt -48.84 -47.74 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.066 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.35 -52.48 63.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.104 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.6 m -45.14 -64.11 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -47.61 -43.6 25.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -63.94 -24.53 67.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.59 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -83.18 -19.36 36.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.767 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.632 ' O ' HD22 ' A' ' 112' ' ' LEU . 15.1 mmtp -70.92 -32.79 69.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -81.48 18.46 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.572 HG22 ' HG3' ' A' ' 73' ' ' MET . 21.4 mt -94.92 105.0 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -89.29 -34.84 16.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.441 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 1.8 m -47.29 136.35 9.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.651 0.739 . . . . 0.0 110.837 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -24.68 29.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.28 -58.37 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.057 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.459 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -49.11 -50.56 36.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.572 ' HG3' HG22 ' A' ' 67' ' ' ILE . 8.8 mtp -45.09 -37.59 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.51 -59.33 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.151 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -51.46 -59.66 4.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.417 ' HB2' ' NZ ' ' A' ' 72' ' ' LYS . 20.3 tptm -45.79 -47.17 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.0 -48.28 32.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -60.84 -30.39 70.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -63.96 -55.93 18.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 36.3 mt -57.29 -30.31 35.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.185 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.663 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.6 OUTLIER -78.12 -47.3 18.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.914 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.489 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 5.0 mm-40 -65.59 -7.92 17.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.829 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 21.4 tt0 -104.1 -53.58 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.426 ' C ' ' H ' ' A' ' 86' ' ' GLN . 65.8 m-85 -101.15 -53.68 2.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.54 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -77.58 24.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.68 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.45 151.81 23.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.497 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 43.9 m -54.77 133.18 47.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.451 ' HG2' HG22 ' A' ' 87' ' ' THR . 23.4 pt-20 35.15 34.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.829 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -50.83 165.7 0.35 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.582 0.706 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.745 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.8 Cg_endo -69.75 -33.94 15.62 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -121.81 17.58 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 7.3 tt0 -39.84 100.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.518 HG11 ' HB2' ' A' ' 57' ' ' PHE . 33.2 m -58.66 -178.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -96.36 96.88 9.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.51 HG12 HG23 ' A' ' 93' ' ' VAL . 1.3 pt -143.91 113.15 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -51.44 165.59 0.15 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.791 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -54.6 -35.65 63.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.401 ' O ' HG12 ' A' ' 102' ' ' ILE . 12.3 t80 -51.03 -68.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.0 m -61.44 -48.38 81.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.76 -51.6 15.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -56.25 -46.57 79.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.813 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 98' ' ' PHE . 17.0 mm -44.03 -65.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.2 m -39.99 -51.32 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.4 mtp -49.29 -55.54 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -61.32 -19.2 61.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.97 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -92.99 4.73 53.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.663 HD11 ' CD2' ' A' ' 81' ' ' TYR . 57.3 mt -91.03 -0.69 57.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.408 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 13.9 t -80.22 -58.01 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.527 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 9.9 mt-10 -121.87 48.96 1.8 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.677 0.751 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.3 Cg_endo -69.78 139.65 40.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.386 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.1 t -132.76 -71.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.632 HD22 ' O ' ' A' ' 65' ' ' LYS . 83.7 mt -131.35 -44.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.4 m -92.11 24.97 3.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.468 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 2.5 p -59.49 -40.17 86.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -108.62 38.23 2.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -66.3 -56.3 11.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 5.7 tpp -59.75 -60.77 3.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.568 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -50.22 -35.21 25.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -69.43 -51.66 34.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -66.41 -29.25 69.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -60.09 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' ' 122' ' ' ILE . 8.3 mm -58.73 -40.03 78.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.427 ' CD2' HD23 ' A' ' 29' ' ' LEU . 5.1 t-80 -57.08 -37.28 71.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.23 -20.35 62.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.0 -43.32 13.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.456 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 47.9 mtm -69.94 -10.33 58.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.773 ' O ' HD23 ' A' ' 131' ' ' LEU . 6.1 pt-20 -98.01 -24.7 15.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.31 -5.17 14.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -113.17 -66.63 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 133' ' ' ARG . 33.0 m -78.04 -55.93 4.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.773 HD23 ' O ' ' A' ' 127' ' ' GLU . 4.0 tp -34.66 -54.43 0.97 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.648 0.737 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.3 Cg_endo -69.75 -26.84 27.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.739 2.293 . . . . 0.0 112.307 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 130' ' ' SER . 61.9 mtm180 -88.51 -13.65 39.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.788 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 130' ' ' SER . 15.2 t80 -84.32 -39.1 19.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.465 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 28.2 m -67.84 -23.03 28.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.093 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -71.69 -41.29 68.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 97.9 p -65.24 175.9 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -74.75 -34.88 62.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -40.86 -32.69 0.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.768 ' HA ' HD12 ' A' ' 143' ' ' LEU . 59.1 t80 -91.26 -49.59 6.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.96 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 145' ' ' SER . 86.4 mm-40 -48.88 -30.79 6.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -78.29 -26.27 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' A' ' 140' ' ' TYR . 34.3 mt -68.46 -33.75 74.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 145' ' ' SER . 24.2 pt -101.01 -42.95 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 14.1 t -66.69 -34.9 78.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -49.47 178.64 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.493 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 149' ' ' SER . 53.6 Cg_endo -69.7 -0.48 6.93 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.747 2.298 . . . . 0.0 112.365 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 78.5 p -38.86 -30.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.813 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 147' ' ' PRO . 19.4 p -146.96 172.82 13.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.431 -179.91 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -110.57 121.55 45.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 110.882 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -96.74 132.25 42.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.75 97.97 0.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.549 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.4 m -101.49 -44.08 5.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.918 0.389 . . . . 0.0 110.844 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -86.46 154.5 21.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' A' ' 9' ' ' GLU . . . -159.56 60.54 0.31 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 18.09 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.339 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.469 ' H ' ' C ' ' A' ' 7' ' ' GLY . 8.7 pt-20 -78.37 47.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -100.16 140.91 21.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 159.95 51.48 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.739 2.292 . . . . 0.0 112.347 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.71 114.08 11.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -166.64 166.87 15.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 t -98.93 136.45 38.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -171.22 178.11 3.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -83.58 174.89 10.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.504 HG21 ' CH2' ' A' ' 25' ' ' TRP . 95.6 m -116.55 144.32 44.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -100.96 153.57 19.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -51.41 -62.55 1.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.668 ' HA ' HD12 ' A' ' 23' ' ' LEU . 2.9 m-20 -51.94 -16.61 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 24' ' ' GLN . 10.1 tt0 -85.98 -58.1 2.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.478 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -40.72 -33.32 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.5 mt -73.16 -37.37 66.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' GLU . 18.1 mt-30 -56.17 -21.84 25.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.504 ' CH2' HG21 ' A' ' 17' ' ' THR . 51.8 m0 -71.96 -20.72 61.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.417 ' HG2' HG11 ' A' ' 135' ' ' VAL . 44.4 mtp180 -74.45 -38.77 62.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -54.66 -58.49 7.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -135.1 121.6 20.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 tp -44.61 -40.23 5.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.941 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -44.89 -52.96 8.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -48.8 -33.3 10.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.0 tp -72.32 -60.81 2.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.531 HD13 ' CE3' ' A' ' 58' ' ' TRP . 81.2 mt -52.68 -44.45 66.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -53.33 -45.39 69.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -72.46 127.79 33.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -56.28 -49.97 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.47 ' CE2' HD23 ' A' ' 143' ' ' LEU . 2.1 t80 -58.28 -57.91 10.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.12 -42.38 87.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.4 tp -59.6 -63.97 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.26 -50.49 3.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -64.07 -47.33 80.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.808 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -50.51 -41.06 53.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.604 ' HG2' HD13 ' A' ' 55' ' ' LEU . 33.3 mtpt -62.25 -63.02 1.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 t -38.96 -49.05 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.49 ' CE1' ' HG3' ' A' ' 49' ' ' GLU . 15.0 t80 -52.15 -49.71 63.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.532 HD22 ' O ' ' A' ' 51' ' ' SER . 91.6 mt -59.63 -56.91 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -41.81 -43.86 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -70.24 -43.38 70.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.49 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 5.5 mm-40 -78.68 -4.41 48.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 46' ' ' LEU . 22.9 m-85 66.84 36.99 4.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.532 ' O ' HD22 ' A' ' 46' ' ' LEU . 37.7 m -129.68 33.4 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.921 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -74.85 -26.75 59.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.474 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 25.6 pm0 -54.76 -31.43 58.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.474 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 2.7 m-20 -60.98 -53.31 58.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.668 HD22 ' CD1' ' A' ' 59' ' ' ILE . 0.7 OUTLIER -63.7 -47.28 81.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.965 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -42.14 -57.68 2.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.566 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 18.1 t80 -49.08 -34.5 13.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.531 ' CE3' HD13 ' A' ' 33' ' ' LEU . 38.4 t90 -71.23 -62.83 1.26 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.668 ' CD1' HD22 ' A' ' 55' ' ' LEU . 43.6 mt -46.42 -43.36 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.15 -46.99 86.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.036 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 65.1 m -50.61 -59.64 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -54.62 -35.15 63.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -71.23 -33.91 70.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.514 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.1 t80 -69.11 -26.27 64.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 61' ' ' CYS . 28.4 mmtt -68.85 -29.88 68.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -69.22 -5.12 20.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.955 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.554 HG22 ' HG3' ' A' ' 73' ' ' MET . 27.2 mt -80.66 123.3 37.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.192 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.56 3.85 14.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.5 t -84.24 139.07 39.04 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.702 0.763 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -10.39 28.45 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.715 2.276 . . . . 0.0 112.339 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -105.18 -53.52 2.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -57.93 -41.75 83.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.554 ' HG3' HG22 ' A' ' 67' ' ' ILE . 6.8 mtp -54.69 -33.03 60.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.824 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.73 -56.21 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.08 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -55.35 -58.38 7.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.546 ' HG2' HD11 ' A' ' 67' ' ' ILE . 19.1 tptm -47.61 -44.27 26.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.64 -49.13 57.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 6.5 pttm -60.23 -35.82 76.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.419 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 64.0 mt-30 -57.69 -56.66 19.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 35.7 mt -55.7 -30.8 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.609 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -75.96 -44.77 38.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.497 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 13.3 mm-40 -66.72 -8.21 26.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.862 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 10.6 tt0 -105.1 -52.85 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.402 ' C ' ' H ' ' A' ' 86' ' ' GLN . 68.4 m-85 -100.84 -53.77 2.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.547 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.2 mm -78.89 25.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.672 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.9 153.92 21.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.492 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 29.0 m -57.57 134.11 55.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.482 ' HG2' HG22 ' A' ' 87' ' ' THR . 12.6 pt-20 37.34 31.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.862 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -49.66 162.59 0.44 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.571 0.7 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.654 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.4 Cg_endo -69.83 -30.17 22.4 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.64 2.227 . . . . 0.0 112.384 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -124.95 17.43 8.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.601 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 58.1 tt0 -40.6 100.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.517 HG11 ' HB2' ' A' ' 57' ' ' PHE . 32.8 m -58.84 -175.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -100.06 101.69 12.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -147.67 113.88 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -49.42 161.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -51.4 -37.23 47.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -50.8 -68.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 37.5 m -60.31 -49.65 76.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.175 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 104' ' ' MET . 0.1 OUTLIER -47.23 -47.73 24.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -61.59 -47.45 85.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.9 mm -43.41 -63.07 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.0 m -42.82 -52.66 4.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.144 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 100' ' ' LYS . 3.0 mtp -47.33 -55.98 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.827 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -60.35 -22.53 63.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -89.61 6.1 42.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.574 HD11 ' CD2' ' A' ' 81' ' ' TYR . 60.9 mt -92.03 -0.78 57.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.4 t -79.4 -57.9 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.525 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 7.4 mt-10 -123.1 49.68 2.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.71 0.767 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.5 Cg_endo -69.76 134.47 28.05 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.612 2.208 . . . . 0.0 112.358 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.7 t -123.57 -70.65 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.0 mt -134.83 -45.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.402 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 55.9 p -87.91 19.53 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.453 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 1.3 p -56.41 -42.43 77.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.837 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 30.8 m-85 -105.04 36.38 2.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.798 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 113' ' ' SER . 10.6 p-10 -68.46 -49.43 59.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 2.9 tpp -63.61 -66.46 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.566 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -46.64 -42.05 15.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.437 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 41.9 tt0 -60.11 -53.7 54.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -25.28 65.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.512 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -67.33 -54.67 18.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 122' ' ' ILE . 10.4 mm -64.88 -42.12 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -53.91 -37.88 64.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.66 -22.86 62.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 129' ' ' ASP . 0.7 OUTLIER -83.97 -43.47 15.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.454 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 38.1 mtm -71.05 -11.05 60.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.467 ' O ' HD23 ' A' ' 131' ' ' LEU . 6.1 pt-20 -98.41 -23.69 15.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.444 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -110.43 -5.26 15.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 132' ' ' PRO . 34.8 t70 -115.85 -65.17 1.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.912 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 133' ' ' ARG . 42.2 m -75.75 -58.86 3.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.61 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.4 tp -35.59 -54.05 1.29 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.7 Cg_endo -69.78 -25.83 28.13 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.718 2.278 . . . . 0.0 112.356 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 130' ' ' SER . 14.4 mtp85 -89.91 -13.38 36.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.4 t80 -86.75 -42.84 13.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.455 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 28.6 m -56.11 -37.7 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -66.16 -44.79 83.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 23.1 p -57.0 136.96 56.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.804 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 139' ' ' PHE . 2.2 mm-40 -41.66 -39.41 1.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 138' ' ' GLU . 97.2 m-85 -37.59 -38.38 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.73 ' HA ' HD12 ' A' ' 143' ' ' LEU . 48.7 t80 -86.03 -43.92 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.923 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.49 ' O ' ' CB ' ' A' ' 145' ' ' SER . 79.7 mm-40 -51.91 -32.01 30.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -78.0 -25.12 47.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' A' ' 140' ' ' TYR . 33.8 mt -70.08 -34.94 73.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.478 HG22 ' HB3' ' A' ' 22' ' ' ALA . 29.9 pt -99.16 -40.48 8.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 16.5 t -68.53 -40.86 80.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 145' ' ' SER . . . -45.12 172.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.529 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 111.69 2.88 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 9.7 t -124.34 178.38 5.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.1 t -130.55 148.85 52.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.525 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -115.82 137.3 52.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.6 t -82.21 -50.08 9.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.6 110.2 1.11 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -86.25 128.47 34.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.0 m -69.72 -175.86 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.418 ' HA2' ' HD2' ' A' ' 8' ' ' PRO . . . -103.35 111.69 4.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.537 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.523 ' O ' ' C ' ' A' ' 9' ' ' GLU . 53.4 Cg_endo -69.82 7.01 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.332 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.523 ' C ' ' O ' ' A' ' 8' ' ' PRO . 15.8 pt-20 -27.74 133.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -68.8 155.39 93.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.729 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 80.43 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.35 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -172.5 -176.96 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -63.92 114.61 4.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.535 HG21 ' ND2' ' A' ' 36' ' ' ASN . 2.2 t -44.82 162.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.455 ' C ' ' HG3' ' A' ' 16' ' ' LYS . 1.5 pt20 -125.89 -68.16 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.455 ' HG3' ' C ' ' A' ' 15' ' ' GLN . 0.6 OUTLIER -144.95 171.42 14.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.547 HG21 ' CH2' ' A' ' 25' ' ' TRP . 64.5 m -98.38 142.14 30.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 m -87.07 142.7 27.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -46.0 -62.6 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.67 ' HA ' HD12 ' A' ' 23' ' ' LEU . 20.7 m-20 -48.18 -19.27 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 24' ' ' GLN . 11.6 tt0 -86.95 -58.82 2.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -41.52 -31.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.1 mt -75.83 -36.04 59.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' GLU . 12.4 mt-30 -54.14 -24.19 16.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.66 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 36.3 m0 -72.09 -23.49 61.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.942 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.462 ' HG2' HG11 ' A' ' 135' ' ' VAL . 11.4 mtp-105 -74.23 -41.45 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -57.78 -56.24 24.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 t -135.17 137.52 42.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.797 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.474 HD21 HD11 ' A' ' 33' ' ' LEU . 7.4 tp -56.12 -40.17 73.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 31' ' ' LYS . 3.7 m-20 -43.3 -62.68 0.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 30' ' ' ASP . 20.2 mmtt -37.28 -37.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.513 HD21 ' HB2' ' A' ' 42' ' ' PHE . 24.3 tp -73.22 -65.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.474 HD11 HD21 ' A' ' 29' ' ' LEU . 88.3 mt -47.37 -51.92 18.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -54.3 -42.84 70.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -70.0 124.72 24.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.535 ' ND2' HG21 ' A' ' 14' ' ' THR . 3.1 p-10 -57.33 -47.75 80.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -62.88 -53.89 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.14 -39.5 94.52 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.3 tp -62.73 -61.62 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.07 -51.29 4.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.034 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.9 m -66.49 -45.05 80.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.513 ' HB2' HD21 ' A' ' 32' ' ' LEU . 35.7 t80 -51.52 -41.53 61.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HG2' HD13 ' A' ' 55' ' ' LEU . 35.8 mtpt -60.8 -64.07 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.5 t -40.56 -41.89 1.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.826 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.436 ' CZ ' ' HG3' ' A' ' 49' ' ' GLU . 18.4 t80 -57.62 -46.69 83.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.631 HD22 ' O ' ' A' ' 51' ' ' SER . 63.4 mt -57.95 -50.29 73.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -43.72 -47.61 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -65.29 -41.29 94.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.436 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 8.3 mm-40 -80.92 -5.63 57.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 46' ' ' LEU . 15.1 m-85 62.53 36.83 13.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.631 ' O ' HD22 ' A' ' 46' ' ' LEU . 65.5 m -129.83 34.84 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.594 ' HA ' HD13 ' A' ' 46' ' ' LEU . 9.5 tt0 -75.94 -20.83 57.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.476 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 11.1 pm0 -60.13 -31.41 70.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.476 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 3.2 m-20 -60.84 -49.33 77.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.86 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.633 HD22 ' CD1' ' A' ' 59' ' ' ILE . 0.9 OUTLIER -66.48 -43.8 84.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -44.73 -58.09 3.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.561 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 20.8 t80 -48.79 -31.62 7.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 37.7 t90 -74.62 -62.84 1.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.633 ' CD1' HD22 ' A' ' 55' ' ' LEU . 54.5 mt -46.13 -42.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.88 -49.02 76.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.4 m -47.37 -54.61 10.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -56.62 -44.13 80.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.19 -15.41 59.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.549 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -90.84 -30.51 16.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -65.88 -32.12 73.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -82.21 17.48 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.56 HG22 ' HG3' ' A' ' 73' ' ' MET . 24.1 mt -94.03 118.29 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.21 -34.31 11.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -47.46 133.6 10.14 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -27.44 26.57 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.658 2.239 . . . . 0.0 112.399 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.09 -42.83 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.49 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 3.5 tptt -62.69 -51.61 66.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.56 ' HG3' HG22 ' A' ' 67' ' ' ILE . 9.4 mtp -44.56 -35.1 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.41 -62.28 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.42 -59.76 3.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 39.3 tptt -45.39 -46.27 13.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -47.4 -49.92 23.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.498 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 6.9 pttt -61.08 -39.7 90.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.498 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 21.8 mt-30 -53.27 -50.18 65.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.5 mt -61.29 -29.59 46.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.597 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -77.54 -46.1 23.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.1 mt-10 -66.02 -8.43 23.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.87 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 16.7 tt0 -104.38 -52.58 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.401 ' C ' ' H ' ' A' ' 86' ' ' GLN . 62.7 m-85 -101.74 -53.79 2.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.55 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.3 mm -78.99 26.82 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.656 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -104.81 148.13 26.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.973 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.493 HG22 ' HG3' ' A' ' 88' ' ' GLU . 21.0 m -55.13 123.94 15.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.493 ' HG3' HG22 ' A' ' 87' ' ' THR . 18.5 mt-10 48.08 33.73 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.87 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -53.39 163.25 1.01 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.523 0.678 . . . . 0.0 111.093 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.678 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.5 Cg_endo -69.66 -33.22 17.41 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.652 2.235 . . . . 0.0 112.411 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -121.89 17.82 10.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.587 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 19.3 tt0 -40.91 105.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.511 HG11 ' HB2' ' A' ' 57' ' ' PHE . 35.3 m -61.65 -176.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -98.7 98.54 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.405 HG12 HG23 ' A' ' 93' ' ' VAL . 1.4 pt -145.98 112.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -50.44 157.92 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -48.32 -34.41 10.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -51.72 -70.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 63.7 m -60.17 -50.09 75.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.149 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.53 -45.24 13.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.901 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.16 -45.57 92.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.402 ' HA ' ' HD2' ' A' ' 105' ' ' LYS . 40.9 mm -44.54 -63.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 106' ' ' ASN . 88.6 m -42.05 -55.15 3.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.5 mtp -42.82 -54.38 4.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' A' ' 102' ' ' ILE . 4.3 mttm -61.45 -24.21 66.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.847 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 103' ' ' THR . 92.5 m-20 -87.64 7.97 27.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.523 HD11 ' CD2' ' A' ' 81' ' ' TYR . 34.6 mt -93.68 -3.93 51.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.5 t -76.8 -58.07 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 10.0 mt-10 -123.33 51.23 3.67 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.561 0.696 . . . . 0.0 110.841 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.6 Cg_endo -69.79 134.74 28.66 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.729 2.286 . . . . 0.0 112.323 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.1 m -132.02 -66.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 112' ' ' LEU . 13.4 mt -135.03 -45.35 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 t -89.79 22.25 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.1 p -60.02 -38.4 82.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -114.24 47.05 1.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.98 -51.19 11.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.868 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 5.0 tpp -64.86 -58.93 4.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.561 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -49.76 -42.59 46.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -60.62 -57.85 10.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -27.43 68.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.453 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -66.68 -53.32 35.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 122' ' ' ILE . 8.2 mm -67.97 -45.2 84.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -53.31 -37.6 62.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.53 -20.53 62.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.63 -43.95 12.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.448 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 41.6 mtm -68.85 -10.34 56.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.644 ' O ' HD23 ' A' ' 131' ' ' LEU . 5.6 pt-20 -97.35 -23.99 15.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.815 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.419 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -111.44 -6.06 14.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -111.7 -66.46 1.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 133' ' ' ARG . 14.4 p -78.38 -57.41 3.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 127' ' ' GLU . 5.2 tp -34.2 -53.86 0.89 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.585 0.707 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.6 Cg_endo -69.77 -29.15 24.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.333 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 130' ' ' SER . 22.9 mmt180 -85.66 -13.75 47.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 130' ' ' SER . 14.0 t80 -85.22 -50.22 7.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.462 HG11 ' HG2' ' A' ' 26' ' ' ARG . 23.6 m -49.92 -26.54 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.058 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.8 mtp85 -74.99 -42.53 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 138' ' ' GLU . 13.8 p -60.31 133.12 55.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 139' ' ' PHE . 0.1 OUTLIER -36.01 -41.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.457 ' C ' ' O ' ' A' ' 138' ' ' GLU . 89.5 m-85 -33.74 -43.25 0.13 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.821 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.818 ' HA ' HD12 ' A' ' 143' ' ' LEU . 47.1 t80 -80.51 -44.72 18.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 145' ' ' SER . 93.2 mm-40 -49.09 -35.12 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -77.61 -25.49 49.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' A' ' 140' ' ' TYR . 41.6 mt -70.4 -33.91 71.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.562 HG22 ' HB3' ' A' ' 22' ' ' ALA . 31.7 pt -100.35 -40.76 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 8.6 t -69.89 -33.05 71.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -56.77 -166.01 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.86 88.86 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.303 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 47.9 p -173.62 135.25 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.5 t -156.8 174.9 14.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.424 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t 62.61 42.32 8.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.898 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -111.34 -48.31 3.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.897 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.55 171.92 13.95 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.422 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 p -160.87 167.69 26.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.903 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 7' ' ' GLY . 63.2 m -83.86 -53.22 5.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.821 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 36.32 67.77 0.35 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -15.1 36.78 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.617 2.211 . . . . 0.0 112.344 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -104.16 83.8 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -91.76 142.99 27.2 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 176.3 6.95 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.703 2.268 . . . . 0.0 112.34 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -174.02 117.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.053 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.77 144.6 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.8 t -150.95 171.2 17.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -123.87 179.27 4.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -47.3 171.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.831 HG21 ' CH2' ' A' ' 25' ' ' TRP . 85.4 m -104.06 133.13 49.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -87.97 158.71 18.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.568 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -58.34 -53.38 58.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.593 ' HA ' HD12 ' A' ' 23' ' ' LEU . 8.2 t70 -57.76 -12.02 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.506 ' OE1' HG23 ' A' ' 17' ' ' THR . 9.3 tt0 -88.63 -61.07 1.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.55 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -37.7 -35.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.089 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' A' ' 20' ' ' ASP . 3.4 mt -69.38 -41.24 76.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 21' ' ' GLU . 32.7 mt-30 -54.5 -22.92 14.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.831 ' CH2' HG21 ' A' ' 17' ' ' THR . 44.8 m0 -70.8 -23.03 62.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -76.65 -39.82 51.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -53.02 -58.58 6.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -134.99 132.86 38.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.809 HD21 ' SD ' ' A' ' 126' ' ' MET . 8.3 tp -49.42 -45.17 45.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' LYS . 16.3 m-20 -42.63 -62.44 0.99 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' HD3' ' HB3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -36.52 -47.97 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.884 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.577 HD13 ' HB3' ' A' ' 25' ' ' TRP . 26.6 tp -60.13 -61.43 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.956 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 52.3 mt -49.38 -50.36 40.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.007 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -48.82 -44.65 39.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -75.19 127.98 34.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -60.33 -51.25 70.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.815 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.19 -52.57 62.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.08 -40.6 99.14 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.448 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.0 tp -64.12 -62.67 1.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.42 -56.07 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.5 m -62.63 -42.55 99.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -53.57 -44.38 69.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -57.43 -64.88 0.74 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 t -37.79 -49.18 1.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.533 ' CD2' ' HB2' ' A' ' 134' ' ' PHE . 42.4 t80 -48.32 -44.85 34.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.811 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.731 HD23 ' HA ' ' A' ' 52' ' ' GLU . 9.4 mp -63.76 -51.85 63.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -41.11 -45.72 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 m -64.77 -41.28 95.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -79.83 -10.69 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 68.97 32.86 3.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 m -126.84 30.92 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.731 ' HA ' HD23 ' A' ' 46' ' ' LEU . 9.9 tt0 -72.26 -25.98 61.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 91' ' ' LYS . 3.7 pt-20 -54.57 -33.97 61.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.957 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.606 ' O ' HG21 ' A' ' 122' ' ' ILE . 3.0 m-20 -58.87 -46.57 87.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.523 HD22 ' CD1' ' A' ' 59' ' ' ILE . 0.9 OUTLIER -72.69 -46.12 55.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -40.68 -59.89 1.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -44.66 -39.08 4.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.417 ' CB ' ' HE1' ' A' ' 126' ' ' MET . 70.8 t90 -67.05 -64.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.523 ' CD1' HD22 ' A' ' 55' ' ' LEU . 39.2 mt -42.32 -42.63 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.74 -45.89 87.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.047 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 54.9 m -47.29 -57.79 4.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -55.82 -41.49 74.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -65.44 -20.8 66.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.809 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.526 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.2 t80 -86.89 -30.8 21.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -63.89 -31.88 73.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.417 ' NZ ' ' HB3' ' A' ' 66' ' ' LYS . 0.9 OUTLIER -83.63 23.62 0.94 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.839 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.558 HG22 ' HG3' ' A' ' 73' ' ' MET . 20.6 mt -101.18 113.19 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -93.51 -34.21 13.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 m -46.36 130.77 7.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.731 0.777 . . . . 0.0 110.811 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -20.86 33.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.712 2.274 . . . . 0.0 112.305 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -92.56 -41.02 10.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.512 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -67.0 -49.66 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.558 ' HG3' HG22 ' A' ' 67' ' ' ILE . 12.9 mtp -45.39 -37.48 5.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.67 -57.18 2.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 11.1 mm-40 -53.04 -57.54 10.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 18.3 tptm -48.94 -48.86 42.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.4 -46.05 9.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.498 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 3.6 pttp -63.96 -40.19 95.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.498 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 19.1 mt-30 -52.75 -51.98 58.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.3 mt -60.24 -30.11 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.645 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.5 OUTLIER -76.27 -45.09 34.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.492 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 6.6 mt-10 -67.44 -8.7 35.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.766 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 20.4 tt0 -105.05 -49.73 3.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.416 ' C ' ' H ' ' A' ' 86' ' ' GLN . 78.3 m-85 -103.57 -54.85 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.561 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -77.95 27.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.492 ' HB2' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -107.46 146.98 31.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 89' ' ' ALA . 67.4 m -50.97 134.2 26.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 37.1 32.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.766 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -49.88 162.33 0.48 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.593 0.711 . . . . 0.0 111.094 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.644 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.1 Cg_endo -69.82 -31.67 19.82 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.285 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 53' ' ' GLU . 8.8 mtpp -123.63 20.6 9.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 28.8 tt0 -42.18 103.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.463 HG23 HG12 ' A' ' 95' ' ' ILE . 30.0 m -62.98 165.44 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -80.65 96.9 7.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.669 HG23 HD11 ' A' ' 122' ' ' ILE . 3.4 pt -146.1 112.25 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -48.89 167.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -56.74 -34.64 67.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -52.14 -68.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.7 m -60.7 -47.5 86.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.481 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -48.22 -53.15 18.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -54.81 -49.15 71.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.1 mm -41.14 -67.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.201 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 97.8 m -39.44 -52.9 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.6 mtp -48.28 -57.3 6.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -59.2 -20.95 58.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -90.53 5.0 49.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.645 HD11 ' CD2' ' A' ' 81' ' ' TYR . 37.4 mt -89.29 -2.94 58.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.405 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 14.9 t -79.47 -57.8 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.105 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.522 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 11.0 mt-10 -121.73 49.71 2.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.728 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.78 124.16 10.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.624 2.216 . . . . 0.0 112.398 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.4 m -118.24 -70.63 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.7 mt -134.09 -44.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.8 m -87.16 20.2 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.7 m -49.06 -55.83 10.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.828 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.43 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 40.0 m-85 -99.87 39.11 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -64.32 -34.94 79.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 4.2 tpp -83.35 -67.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -43.99 -33.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 37.4 tt0 -66.8 -53.16 35.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -67.41 -29.01 68.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.98 -54.8 24.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.669 HD11 HG23 ' A' ' 95' ' ' ILE . 11.2 mm -65.34 -46.02 91.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.704 ' CE1' HD23 ' A' ' 29' ' ' LEU . 7.1 t-80 -55.59 -35.59 65.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.3 -23.87 61.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.47 -43.08 13.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.809 ' SD ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -69.89 -11.71 61.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.869 ' O ' HD23 ' A' ' 131' ' ' LEU . 5.4 pt-20 -96.34 -22.55 17.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.79 -6.85 14.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -109.39 -66.89 1.02 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.893 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 133' ' ' ARG . 22.8 p -80.04 -55.9 4.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.869 HD23 ' O ' ' A' ' 127' ' ' GLU . 4.1 tp -32.83 -54.25 0.6 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.624 0.726 . . . . 0.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.2 Cg_endo -69.86 -31.54 19.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.64 2.227 . . . . 0.0 112.345 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 130' ' ' SER . 15.5 mtt180 -84.25 -12.69 54.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.533 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 17.8 t80 -85.46 -35.95 20.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.444 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 33.8 m -70.25 -34.44 58.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.179 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -60.85 -44.9 96.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 87.2 p -61.9 166.42 4.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 139' ' ' PHE . 2.7 tt0 -64.65 -38.37 90.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 138' ' ' GLU . 92.4 m-85 -34.35 -39.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.638 ' HA ' HD12 ' A' ' 143' ' ' LEU . 66.2 t80 -88.11 -43.95 11.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 145' ' ' SER . 99.0 mm-40 -50.26 -32.2 16.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.19 -25.93 52.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 140' ' ' TYR . 34.3 mt -69.63 -37.24 76.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 145' ' ' SER . 35.1 pt -96.2 -41.17 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 11.9 t -68.29 -39.73 82.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -48.74 178.77 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 148' ' ' SER . 54.2 Cg_endo -69.7 -49.53 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.659 2.239 . . . . 0.0 112.41 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 147' ' ' PRO . 9.3 m 34.21 39.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.8 m -113.38 -43.62 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.544 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m -147.29 134.8 20.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.356 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -56.02 154.46 7.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.86 154.69 27.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.543 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -163.16 146.25 10.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.821 0.343 . . . . 0.0 110.917 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -54.53 -62.48 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.42 147.87 4.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.46 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.33 21.85 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.65 2.233 . . . . 0.0 112.368 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -171.44 119.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -140.68 141.58 25.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.523 0.678 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -172.27 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.235 . . . . 0.0 112.352 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.21 132.87 7.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.03 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -155.89 157.3 36.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -124.67 171.32 10.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -167.79 179.31 4.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.934 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -93.92 176.1 6.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.578 HG21 ' CH2' ' A' ' 25' ' ' TRP . 43.1 m -112.99 139.25 48.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -102.55 161.55 13.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.81 -57.82 10.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.712 ' HA ' HD12 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -56.64 -12.26 1.74 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 24' ' ' GLN . 12.4 tt0 -89.81 -59.23 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.437 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -40.92 -32.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.2 mt -71.99 -38.6 69.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' GLU . 62.2 mt-30 -54.47 -23.66 17.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.578 ' CH2' HG21 ' A' ' 17' ' ' THR . 50.5 m0 -71.09 -23.38 62.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -71.92 -38.84 69.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -56.32 -59.85 4.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -135.15 126.41 28.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.817 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 tp -48.21 -39.38 20.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -44.97 -53.28 7.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -47.98 -37.53 14.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.3 tp -67.64 -64.46 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.466 HD13 ' CE3' ' A' ' 58' ' ' TRP . 58.4 mt -48.96 -44.83 41.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -53.8 -45.05 70.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -72.85 127.24 31.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -56.32 -53.26 59.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -55.39 -56.19 23.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.77 -41.77 94.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.52 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.1 tp -62.95 -61.3 2.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.845 0.355 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.78 -48.76 10.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.073 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.2 m -68.98 -43.22 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -53.84 -42.92 69.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.524 ' HG2' HD13 ' A' ' 55' ' ' LEU . 36.7 mtpt -58.1 -63.58 1.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 t -40.47 -45.32 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.432 ' CD2' ' HB2' ' A' ' 134' ' ' PHE . 26.2 t80 -52.07 -40.8 61.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.781 HD23 ' HA ' ' A' ' 52' ' ' GLU . 9.0 mp -71.97 -53.44 13.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.438 ' HG3' ' CD ' ' A' ' 52' ' ' GLU . 39.8 mtpt -41.26 -41.97 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.3 p -69.77 -36.46 75.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.83 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' OE2' ' NH1' ' A' ' 133' ' ' ARG . 5.6 mm-40 -85.18 -9.98 57.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 69.09 32.11 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.4 m -126.42 30.94 5.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.785 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.781 ' HA ' HD23 ' A' ' 46' ' ' LEU . 13.1 tt0 -73.76 -22.48 59.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 5.6 pm0 -52.5 -33.57 45.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.466 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 5.2 m-20 -60.37 -44.13 95.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.69 HD22 HD11 ' A' ' 59' ' ' ILE . 1.2 tt -72.36 -46.25 56.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -42.38 -57.57 2.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.574 ' CZ ' HD11 ' A' ' 85' ' ' ILE . 29.9 t80 -49.01 -37.24 19.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.466 ' CE3' HD13 ' A' ' 33' ' ' LEU . 43.2 t90 -67.21 -60.07 2.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.69 HD11 HD22 ' A' ' 55' ' ' LEU . 31.3 mt -48.77 -45.13 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.55 88.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 65.7 m -46.98 -56.48 6.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -58.07 -36.84 73.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -69.79 -16.05 63.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.483 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 2.3 t80 -91.79 -30.74 16.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -63.85 -31.02 72.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -82.84 18.2 1.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.561 HG22 ' HG3' ' A' ' 73' ' ' MET . 28.2 mt -97.9 103.79 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.135 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' ' SD ' ' A' ' 73' ' ' MET . 0.0 OUTLIER -84.79 -39.34 18.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -41.48 136.55 1.85 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.678 0.751 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -29.54 23.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.621 2.214 . . . . 0.0 112.37 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.67 -59.55 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.463 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -46.86 -46.13 20.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.561 ' HG3' HG22 ' A' ' 67' ' ' ILE . 11.5 mtp -50.18 -38.11 38.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.35 -57.39 2.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -53.27 -56.84 13.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -48.05 -47.87 33.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.98 -46.23 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.482 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 2.3 pttp -67.25 -38.33 84.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.963 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.482 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 26.1 mt-30 -54.55 -50.41 68.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.5 mt -64.39 -29.38 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.741 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.4 OUTLIER -75.14 -45.77 38.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.535 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 14.6 mt-10 -65.07 -8.28 15.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.79 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 12.8 tt0 -106.16 -52.48 2.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -101.88 -54.75 2.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.69 HG22 ' HE2' ' A' ' 100' ' ' LYS . 1.2 mm -78.97 29.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.648 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.76 148.6 27.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.981 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.451 HG22 ' HG2' ' A' ' 88' ' ' GLU . 23.2 m -58.26 120.93 9.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.451 ' HG2' HG22 ' A' ' 87' ' ' THR . 25.2 mm-40 53.15 27.68 6.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.79 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -49.88 164.46 0.36 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.704 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.7 Cg_endo -69.79 -33.97 15.41 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.339 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -121.89 16.78 10.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.725 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 28.5 tt0 -42.58 103.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.4 m -57.8 176.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -91.75 98.02 11.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.536 HG23 HD11 ' A' ' 122' ' ' ILE . 2.0 pt -142.18 111.59 2.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -47.59 161.39 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -50.71 -38.45 47.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.403 ' O ' HG12 ' A' ' 102' ' ' ILE . 22.6 t80 -48.63 -68.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.9 m -61.95 -53.29 57.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.69 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -43.79 -46.16 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -62.66 -45.19 93.98 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 98' ' ' PHE . 14.5 mm -44.91 -64.37 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.8 m -40.11 -52.84 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.6 mtp -46.97 -56.65 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.436 ' O ' HG12 ' A' ' 108' ' ' VAL . 15.4 mtpt -60.71 -16.31 38.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -95.29 -0.25 53.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.741 HD11 ' CD2' ' A' ' 81' ' ' TYR . 87.6 mt -89.25 1.47 55.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.45 HG13 ' N ' ' A' ' 109' ' ' GLU . 7.2 p -88.22 -42.92 15.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 6.1 mm-40 -132.76 45.0 1.47 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.673 0.749 . . . . 0.0 110.841 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.8 Cg_endo -69.69 137.55 35.92 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.409 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 m -133.72 -68.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.949 0.405 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.7 mt -133.67 -43.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.4 m -89.11 22.62 2.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.2 m -50.13 -56.64 10.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -98.08 34.65 1.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -61.39 -34.48 75.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.411 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 3.9 tpp -86.09 -59.69 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.493 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -48.86 -36.44 17.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -66.64 -53.94 28.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 117' ' ' MET . 18.4 pttt -64.77 -30.34 71.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.447 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -64.99 -59.06 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.803 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.536 HD11 HG23 ' A' ' 95' ' ' ILE . 8.0 mm -60.43 -40.62 84.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -57.12 -38.31 73.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.85 -20.47 63.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 129' ' ' ASP . 0.5 OUTLIER -85.52 -45.89 11.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.429 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 46.0 mtm -67.83 -10.97 57.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.605 ' O ' HD23 ' A' ' 131' ' ' LEU . 8.7 pt-20 -97.91 -25.75 14.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.431 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -112.29 -1.32 15.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 125' ' ' LEU . 37.3 t0 -116.43 -65.92 1.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 134' ' ' PHE . 5.1 p -79.99 -52.45 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.646 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.8 tp -39.72 -51.92 5.09 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.606 0.717 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.646 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.5 Cg_endo -69.71 -22.33 32.44 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.635 2.223 . . . . 0.0 112.424 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.452 ' NH1' ' OE2' ' A' ' 49' ' ' GLU . 6.9 mtp-105 -96.07 -13.27 23.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 130' ' ' SER . 25.5 t80 -85.98 -38.15 18.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.415 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 28.8 m -62.51 -38.51 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 23.7 mtm105 -65.1 -40.82 95.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 49.7 p -62.27 136.35 57.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.511 ' OE1' ' N ' ' A' ' 138' ' ' GLU . 0.2 OUTLIER -38.72 -41.0 0.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 138' ' ' GLU . 96.2 m-85 -34.57 -40.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.825 ' HA ' HD12 ' A' ' 143' ' ' LEU . 44.6 t80 -87.7 -45.61 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 145' ' ' SER . 74.2 mm-40 -48.43 -34.06 10.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -76.85 -27.0 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.825 HD12 ' HA ' ' A' ' 140' ' ' TYR . 31.5 mt -68.19 -35.0 77.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 145' ' ' SER . 26.6 pt -99.21 -40.49 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.048 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 17.6 t -68.35 -32.42 72.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -53.16 -173.8 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.478 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 89.19 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.346 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 52.4 p -174.69 139.02 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 46.2 p -166.0 152.68 9.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.786 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.482 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.7 p -119.62 146.51 45.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.92 0.39 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 p -86.12 161.59 18.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.17 100.91 0.97 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.441 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -138.07 159.02 43.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -123.51 160.21 27.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.91 120.76 2.77 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.455 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -176.66 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.618 2.212 . . . . 0.0 112.319 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -129.37 145.85 51.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -109.37 139.72 21.36 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.527 0.68 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 116.8 4.72 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.679 2.253 . . . . 0.0 112.357 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -130.92 178.78 6.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -166.74 134.14 2.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.7 p -84.9 -176.51 6.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.41 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 18.6 pm0 -123.67 -22.06 5.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 7.0 mtpm? -159.76 177.74 10.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.933 HG21 ' CH2' ' A' ' 25' ' ' TRP . 98.0 m -125.01 126.96 46.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.053 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -73.08 156.53 38.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.46 HD13 ' C ' ' A' ' 19' ' ' LEU . 1.3 tm? -60.39 -56.83 16.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.608 ' HA ' HD12 ' A' ' 23' ' ' LEU . 1.1 m-20 -54.66 -15.29 1.72 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' GLN . 8.5 tt0 -87.75 -56.78 3.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.575 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -42.06 -31.48 0.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.7 mt -75.5 -37.65 60.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' GLU . 27.3 mt-30 -55.2 -18.29 5.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.973 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.933 ' CH2' HG21 ' A' ' 17' ' ' THR . 34.8 m0 -71.27 -23.27 61.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -71.5 -49.41 41.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -47.91 -57.4 5.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m -134.89 133.48 39.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.426 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 6.4 tp -52.59 -46.83 67.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 31' ' ' LYS . 7.9 t70 -37.19 -64.49 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' C ' ' HG2' ' A' ' 34' ' ' GLN . 14.8 mmtm -35.54 -38.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.494 ' HA ' ' CD1' ' A' ' 25' ' ' TRP . 28.4 tp -69.48 -61.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.977 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.402 HD11 HD21 ' A' ' 29' ' ' LEU . 24.4 mt -51.96 -53.27 43.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.484 ' HG2' ' C ' ' A' ' 31' ' ' LYS . 12.5 pt20 -46.38 -38.22 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.482 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 6.2 m120 -85.66 121.89 28.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.68 -51.22 61.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -50.88 -60.67 2.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.72 -42.86 91.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.486 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.0 tp -59.71 -63.22 1.38 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.845 0.355 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.7 -51.96 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.2 m -67.16 -42.91 83.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.809 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -53.62 -39.78 65.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.954 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.594 ' HG2' HD13 ' A' ' 55' ' ' LEU . 35.3 mtpt -63.97 -63.44 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 t -39.63 -42.96 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -54.97 -56.21 22.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.432 ' HB3' ' C ' ' A' ' 51' ' ' SER . 82.1 mt -53.93 -48.09 70.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -50.04 -48.06 53.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m -67.67 -12.26 60.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -112.37 0.46 15.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 61.93 34.42 16.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.432 ' C ' ' HB3' ' A' ' 46' ' ' LEU . 19.2 m -131.28 34.37 4.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.782 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -80.43 -10.08 59.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.472 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 11.3 pm0 -66.99 -36.09 81.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.472 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 8.6 m-20 -56.33 -47.73 78.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.775 HD22 ' CD1' ' A' ' 59' ' ' ILE . 1.2 tt -67.86 -42.14 81.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -48.51 -52.15 23.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.576 ' CZ ' HD11 ' A' ' 85' ' ' ILE . 17.9 t80 -54.29 -33.42 58.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -72.62 -58.61 3.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.775 ' CD1' HD22 ' A' ' 55' ' ' LEU . 40.2 mt -48.81 -46.06 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.126 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.8 88.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.06 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 88.5 m -48.14 -62.86 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -48.81 -41.87 34.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -65.08 -23.83 67.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.567 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -85.5 -27.0 25.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.832 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -69.88 -29.14 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -83.01 10.5 7.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.627 HG22 ' HG3' ' A' ' 73' ' ' MET . 20.1 mt -90.86 127.6 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -108.29 -31.88 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.775 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 m -48.65 133.9 13.78 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -20.56 34.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.03 -41.34 10.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.477 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 5.3 tptt -67.66 -49.96 60.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.627 ' HG3' HG22 ' A' ' 67' ' ' ILE . 9.4 mtp -47.82 -33.34 7.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.472 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.71 -60.48 1.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -52.41 -59.2 4.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.811 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 40.4 tptt -46.14 -39.83 10.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -54.23 -51.17 65.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -30.49 71.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -62.75 -49.07 76.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.0 mt -64.48 -29.41 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.611 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -78.13 -44.0 27.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.494 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 13.5 mm-40 -66.63 -8.24 25.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.833 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 12.5 tt0 -106.66 -52.64 2.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -100.01 -54.0 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.674 HG22 ' HE2' ' A' ' 100' ' ' LYS . 1.2 mm -80.16 27.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.672 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -106.25 149.14 27.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.455 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 29.4 m -55.73 129.37 39.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 42.08 35.94 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.833 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -55.38 163.89 1.63 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 111.053 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.704 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 54.4 Cg_endo -69.69 -34.23 15.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.766 2.311 . . . . 0.0 112.319 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -121.28 22.41 10.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -39.76 129.12 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 57' ' ' PHE . 34.9 m -88.98 175.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -92.5 98.1 11.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -142.17 111.96 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.16 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 97' ' ' HIS . 35.8 t70 -51.62 146.23 7.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 96' ' ' ASP . 38.8 m80 -34.12 -41.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.797 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -47.21 -65.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.6 m -64.54 -56.61 12.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.674 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -43.59 -28.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -82.1 -41.77 20.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.8 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.5 mm -50.46 -55.65 5.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.6 m -48.13 -47.25 34.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.6 mtp -51.03 -55.02 19.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp -63.47 -21.21 66.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -90.1 4.98 48.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.595 HD11 ' CD2' ' A' ' 81' ' ' TYR . 18.9 mt -91.01 -3.34 57.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.467 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 13.3 t -78.93 -60.98 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.512 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 5.2 mm-40 -117.93 49.96 1.04 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.6 Cg_endo -69.75 131.24 20.83 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.407 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.6 t -129.44 -68.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 112' ' ' LEU . 12.2 mt -133.05 -44.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.1 m -90.84 22.81 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.402 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 2.2 p -61.3 -38.6 87.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.87 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -111.37 40.29 2.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -73.1 -46.25 52.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 4.2 tpp -68.86 -62.35 1.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.551 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -48.16 -44.95 32.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -58.52 -58.52 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -29.0 69.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.427 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -67.01 -52.01 47.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 122' ' ' ILE . 7.3 mm -70.57 -40.95 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -56.41 -35.36 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.5 -20.06 60.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.6 OUTLIER -83.58 -44.87 14.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.977 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.432 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 27.8 mtm -72.46 -10.03 59.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.825 ' O ' HD23 ' A' ' 131' ' ' LEU . 6.0 pt-20 -97.38 -27.06 14.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.46 -3.4 15.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 33.2 t0 -114.07 -66.25 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 133' ' ' ARG . 15.2 m -78.43 -55.58 5.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.825 HD23 ' O ' ' A' ' 127' ' ' GLU . 4.1 tp -35.33 -53.93 1.2 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.572 0.701 . . . . 0.0 110.914 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 54.0 Cg_endo -69.75 -26.92 27.14 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 130' ' ' SER . 80.7 mtm180 -89.4 -12.76 39.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 130' ' ' SER . 12.9 t80 -87.37 -35.99 18.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.527 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 17.7 m -62.5 -40.29 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.1 mtm105 -64.17 -28.0 69.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.1 p -73.65 138.23 44.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 140' ' ' TYR . 1.2 mt-10 -39.32 -51.58 2.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.491 ' C ' ' O ' ' A' ' 138' ' ' GLU . 55.9 m-85 -30.18 -39.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.624 ' HA ' HD12 ' A' ' 143' ' ' LEU . 63.2 t80 -87.27 -53.2 4.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.678 ' HA ' HD11 ' A' ' 144' ' ' ILE . 66.4 mm-40 -43.81 -32.64 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 6.4 pt-20 -75.98 -31.66 59.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.688 HD13 ' HZ3' ' A' ' 25' ' ' TRP . 73.8 mt -56.39 -31.53 63.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.841 HD13 ' H ' ' A' ' 144' ' ' ILE . 0.2 OUTLIER -109.88 -36.12 2.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 40.6 t -62.35 -31.73 72.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -57.24 179.42 0.78 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 108.46 2.08 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.676 2.251 . . . . 0.0 112.376 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.5 t -155.74 179.81 8.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 71.6 m -118.18 154.56 31.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -165.59 149.88 8.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.896 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -167.12 175.72 7.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.8 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.71 167.61 36.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -167.62 178.34 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.368 . . . . 0.0 110.907 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 m -162.48 178.6 8.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.17 131.15 2.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.439 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -171.16 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.652 2.235 . . . . 0.0 112.291 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -127.73 177.24 6.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -129.14 152.59 79.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.534 0.683 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -171.17 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.62 2.213 . . . . 0.0 112.379 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.3 179.99 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -117.13 179.81 3.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.8 p -113.39 176.8 4.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -132.02 155.57 47.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -140.61 169.69 17.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.571 HG21 ' CH2' ' A' ' 25' ' ' TRP . 97.1 m -153.56 142.28 20.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -94.9 152.46 18.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.468 HD21 ' HB ' ' A' ' 144' ' ' ILE . 0.9 OUTLIER -50.84 -58.83 4.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.693 ' HA ' HD12 ' A' ' 23' ' ' LEU . 5.4 m-20 -54.24 -18.19 3.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 24' ' ' GLN . 8.9 tt0 -84.08 -58.61 2.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.426 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -41.19 -31.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.9 mt -74.94 -38.15 61.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 21' ' ' GLU . 11.2 mt-30 -56.29 -15.63 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.803 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 44.8 m0 -74.52 -22.64 58.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 13.6 mtp-105 -72.07 -34.63 68.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -61.26 -56.01 25.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.2 m -135.04 128.74 32.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.409 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 6.1 tp -51.75 -39.27 58.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -45.87 -55.69 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.467 ' C ' ' HG2' ' A' ' 34' ' ' GLN . 14.6 mttm -45.89 -33.41 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.8 tp -71.97 -58.25 3.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.5 mt -53.81 -53.12 56.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.484 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 13.4 pt20 -45.18 -40.0 6.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.964 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.484 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 3.2 t-20 -80.98 116.33 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -48.36 -47.95 36.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.429 ' CE2' ' CD2' ' A' ' 143' ' ' LEU . 2.2 t80 -55.68 -60.96 2.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.93 -42.46 80.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.429 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.5 tp -59.13 -63.45 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.981 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -40.93 -53.78 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 m -65.78 -37.97 87.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.412 ' O ' HD13 ' A' ' 46' ' ' LEU . 37.1 t80 -58.75 -36.98 75.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.832 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.518 ' HG2' HD13 ' A' ' 55' ' ' LEU . 34.9 mtpt -66.04 -65.54 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.0 t -41.94 -41.04 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.49 ' CZ ' ' O ' ' A' ' 133' ' ' ARG . 33.7 t80 -55.72 -40.09 71.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 52' ' ' GLU . 5.6 mp -74.17 -49.77 22.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -41.39 -38.73 1.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -69.31 -34.76 75.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.772 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.548 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 4.0 mm-40 -94.93 14.0 23.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 2.7 p90 47.23 31.35 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.6 m -119.59 27.6 8.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.485 ' HA ' HD23 ' A' ' 46' ' ' LEU . 3.6 tt0 -74.88 -26.75 59.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -49.47 -37.16 25.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.434 ' HA ' HG12 ' A' ' 93' ' ' VAL . 10.0 m-20 -55.12 -46.69 75.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.646 HD22 ' CD1' ' A' ' 59' ' ' ILE . 0.5 OUTLIER -67.71 -49.54 62.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -41.14 -49.74 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.55 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 23.5 t80 -54.5 -34.78 62.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.427 ' N ' ' O ' ' A' ' 55' ' ' LEU . 52.1 t90 -72.37 -63.68 1.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.646 ' CD1' HD22 ' A' ' 55' ' ' LEU . 36.0 mt -44.71 -42.39 2.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.041 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.25 -52.72 60.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 75.2 m -40.55 -56.87 1.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.94 -39.02 68.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -67.53 -19.91 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.498 ' HE2' ' HB2' ' A' ' 77' ' ' ALA . 3.3 t80 -86.79 -28.32 23.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -69.28 -33.38 73.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -75.31 3.4 9.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 10.0 mt -89.67 113.81 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -96.45 -29.85 13.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.445 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 1.3 t -46.74 138.52 6.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.567 0.698 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -32.93 17.7 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.67 2.246 . . . . 0.0 112.383 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.36 -54.73 4.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.475 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -51.91 -53.69 38.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.0 mtp -45.05 -32.26 1.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.76 -63.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.16 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -50.83 -56.43 12.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.804 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.405 ' HG2' ' CD1' ' A' ' 67' ' ' ILE . 20.0 tptm -49.35 -42.69 42.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.498 ' HB2' ' HE2' ' A' ' 64' ' ' TYR . . . -52.95 -40.76 63.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.073 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.501 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 12.3 pttt -68.63 -37.08 79.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.501 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 29.1 mt-30 -55.09 -56.24 22.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 34.8 mt -58.05 -22.72 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.777 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.4 OUTLIER -83.85 -42.74 16.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.474 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 15.2 mt-10 -69.95 -9.75 56.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.957 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.803 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 12.1 tt0 -103.95 -46.72 4.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.434 ' C ' ' H ' ' A' ' 86' ' ' GLN . 79.9 m-85 -106.18 -55.65 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.561 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.4 mm -76.98 26.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.177 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.474 ' HB2' ' HA ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -106.3 142.37 36.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.472 HG22 ' HG3' ' A' ' 88' ' ' GLU . 96.9 m -50.03 129.64 20.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.472 ' HG3' HG22 ' A' ' 87' ' ' THR . 13.7 mt-10 47.37 30.54 1.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.812 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.803 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -51.32 158.67 1.3 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.52 0.676 . . . . 0.0 111.105 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.531 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.8 Cg_endo -69.75 -29.68 23.51 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.613 2.209 . . . . 0.0 112.354 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -122.58 16.87 10.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.559 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 35.1 tt0 -39.6 103.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.434 HG12 ' HA ' ' A' ' 54' ' ' ASN . 26.4 m -61.71 179.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.156 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -93.91 97.61 10.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.443 HG23 HD11 ' A' ' 122' ' ' ILE . 1.6 pt -146.58 113.09 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -50.87 156.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -45.99 -37.04 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -50.73 -69.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 86.3 m -60.17 -48.96 79.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.536 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -47.04 -50.62 19.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -56.21 -46.37 79.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.4 mm -43.35 -64.03 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 93.2 m -42.83 -49.35 5.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mtp -50.36 -55.12 17.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -62.86 -19.91 64.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -92.35 4.89 52.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.777 HD11 ' CD2' ' A' ' 81' ' ' TYR . 25.2 mt -90.06 -3.16 58.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.404 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 17.2 t -76.92 -60.85 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.507 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 1.4 pt-20 -120.95 50.8 2.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.73 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.4 Cg_endo -69.61 134.23 27.78 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.5 m -128.19 -70.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.5 mt -131.69 -44.33 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.959 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.8 p -85.69 20.73 2.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.7 m -48.29 -61.0 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -97.57 34.07 1.91 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -58.68 -35.44 72.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 8.0 tpp -84.65 -55.1 4.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.55 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -53.66 -41.24 66.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.08 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -61.21 -54.1 48.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -65.93 -30.56 71.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.494 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -64.42 -52.11 59.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.443 HD11 HG23 ' A' ' 95' ' ' ILE . 7.3 mm -67.77 -42.89 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -56.41 -39.78 73.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 127' ' ' GLU . . . -67.58 -19.79 65.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.042 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.91 -54.42 4.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 32.5 mtm -60.67 -9.93 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.73 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.8 pt-20 -99.36 -22.62 15.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -110.27 -7.21 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 133' ' ' ARG . 5.7 m-20 -118.85 -66.01 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 134' ' ' PHE . 48.9 m -71.27 -50.34 33.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 127' ' ' GLU . 3.5 tp -45.4 -55.42 11.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.584 0.706 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.0 Cg_endo -69.8 -23.14 30.96 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.49 ' O ' ' CZ ' ' A' ' 45' ' ' PHE . 14.7 mmp_? -91.91 -13.8 30.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.502 ' N ' ' O ' ' A' ' 130' ' ' SER . 9.1 t80 -85.35 -37.88 19.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.434 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 34.4 m -65.19 -16.18 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -79.31 -39.37 33.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 138' ' ' GLU . 23.4 p -69.51 133.5 47.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.788 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 139' ' ' PHE . 1.1 pm0 -34.96 -41.97 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.47 ' C ' ' O ' ' A' ' 138' ' ' GLU . 84.3 m-85 -32.35 -43.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.551 ' O ' HD13 ' A' ' 144' ' ' ILE . 60.0 t80 -84.12 -53.18 5.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.955 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.689 ' HA ' HD11 ' A' ' 144' ' ' ILE . 82.2 mm-40 -41.38 -34.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 139' ' ' PHE . 9.3 pt-20 -74.58 -34.88 62.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.803 HD13 ' HZ3' ' A' ' 25' ' ' TRP . 75.3 mt -53.11 -35.08 59.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.838 HD13 ' H ' ' A' ' 144' ' ' ILE . 0.2 OUTLIER -105.91 -33.93 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.086 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 48.5 t -67.49 -64.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 145' ' ' SER . . . 33.82 -147.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.544 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 148' ' ' SER . 53.6 Cg_endo -69.79 -179.02 2.63 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.299 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 147' ' ' PRO . 66.6 m -34.43 124.98 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.4 t -171.34 130.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.783 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -115.69 142.93 46.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.933 0.397 . . . . 0.0 110.771 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 p -66.07 -46.4 77.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.86 118.84 2.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -68.56 -56.42 8.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.895 0.379 . . . . 0.0 110.882 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -85.2 171.94 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.35 125.83 1.74 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.457 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -47.31 0.93 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.709 2.273 . . . . 0.0 112.304 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -158.99 163.4 36.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -174.41 131.41 0.49 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.614 0.721 . . . . 0.0 110.87 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 0.58 5.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.32 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.09 -46.78 82.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -46.19 -67.88 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 p -152.81 -176.31 5.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.176 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -131.54 -179.55 5.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -116.5 174.79 5.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.588 HG21 ' CH2' ' A' ' 25' ' ' TRP . 87.5 m -121.83 142.97 49.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -103.62 143.95 32.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.426 ' CD1' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -45.53 -62.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.553 ' HA ' HD12 ' A' ' 23' ' ' LEU . 77.7 m-20 -47.65 -19.62 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 24' ' ' GLN . 3.3 tp10 -88.99 -56.59 3.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.435 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -42.31 -31.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.5 mt -76.15 -36.05 58.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 21' ' ' GLU . 16.6 mt-30 -54.56 -22.0 11.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.588 ' CH2' HG21 ' A' ' 17' ' ' THR . 38.3 m0 -71.06 -23.44 62.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.409 ' HA ' HD11 ' A' ' 131' ' ' LEU . 15.0 mtp-105 -70.08 -43.87 70.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -56.49 -62.0 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 t -129.09 126.96 40.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 32' ' ' LEU . 4.9 tp -50.32 -37.11 35.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -45.15 -55.96 5.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HA ' ' HG2' ' A' ' 34' ' ' GLN . 15.4 mmtt -44.84 -27.14 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 17.0 tp -79.9 -48.71 13.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 43.7 mt -63.93 -41.24 97.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.401 ' HG2' ' HA ' ' A' ' 31' ' ' LYS . 1.4 pp0? -63.93 -36.58 84.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.472 ' O ' ' C ' ' A' ' 36' ' ' ASN . 3.3 t-20 -78.37 97.8 5.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.472 ' C ' ' O ' ' A' ' 35' ' ' ASN . 0.8 OUTLIER -32.62 -54.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -54.38 -51.74 63.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.57 -49.08 82.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.8 tp -55.08 -61.23 2.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.805 0.336 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.21 -59.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.095 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -59.25 -44.4 92.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -51.44 -43.47 62.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.69 ' HG2' HD13 ' A' ' 55' ' ' LEU . 36.8 mtpt -59.38 -62.94 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 t -41.26 -46.72 3.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -51.17 -41.15 59.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.792 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 49' ' ' GLU . 89.3 mt -67.53 -54.62 18.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.426 ' HG3' ' CD ' ' A' ' 52' ' ' GLU . 15.1 mtpp -39.87 -34.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.0 t -79.11 -36.39 40.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.543 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 5.1 mm-40 -91.21 17.54 8.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 27.9 p90 45.65 31.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.7 m -120.5 27.77 8.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.426 ' CD ' ' HG3' ' A' ' 47' ' ' LYS . 7.0 tt0 -71.84 -24.09 61.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 91' ' ' LYS . 4.3 pt-20 -60.93 -31.15 70.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -59.1 -52.44 65.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.69 HD13 ' HG2' ' A' ' 43' ' ' LYS . 1.3 tt -66.08 -43.9 86.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -45.54 -55.77 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.468 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 25.5 t80 -50.22 -34.97 24.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 59.9 t90 -69.3 -61.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.662 HD11 HD22 ' A' ' 55' ' ' LEU . 22.7 mt -46.46 -45.01 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.33 -51.05 69.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 44.4 m -43.92 -52.84 6.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.85 -44.23 97.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.954 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.05 -20.2 65.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.556 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -85.25 -34.73 21.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -63.78 -32.13 73.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -83.58 19.89 1.51 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.486 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 42.3 mt -93.95 114.65 31.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.21 -21.6 19.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 m -60.63 133.37 91.55 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.682 0.753 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -34.57 14.45 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -82.54 -36.95 25.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.486 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -67.96 -48.24 66.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.439 ' HG3' HG22 ' A' ' 67' ' ' ILE . 8.2 mtp -47.5 -37.66 12.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -89.87 -58.25 2.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.097 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 4.8 mm-40 -51.09 -59.52 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 31.9 tptt -47.98 -43.85 29.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -48.16 -51.8 23.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.048 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.491 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 8.1 ptmt -60.04 -39.73 86.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.491 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 20.9 mt-30 -52.89 -57.6 9.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.9 mt -55.05 -26.9 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.604 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -79.2 -45.71 19.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.505 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.6 mt-10 -66.15 -8.66 25.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.883 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 14.3 tt0 -105.45 -52.15 2.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -100.82 -54.2 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.558 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.61 28.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.714 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -106.92 151.15 25.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.521 HG22 ' HG3' ' A' ' 88' ' ' GLU . 19.5 m -62.95 125.97 25.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.521 ' HG3' HG22 ' A' ' 87' ' ' THR . 16.9 mt-10 52.94 27.98 6.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.883 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -53.82 159.37 2.7 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.571 0.7 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.546 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 54.6 Cg_endo -69.71 -28.82 25.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.609 2.206 . . . . 0.0 112.43 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 53' ' ' GLU . 8.1 mtpp -123.63 17.65 9.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 38.9 tt0 -41.26 96.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.481 HG23 HG12 ' A' ' 95' ' ' ILE . 35.1 m -55.23 178.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -94.35 98.83 11.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.481 HG12 HG23 ' A' ' 93' ' ' VAL . 1.5 pt -146.52 113.25 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.154 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -53.01 154.64 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.803 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -44.4 -34.78 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.804 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -50.77 -70.2 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 63.4 m -62.83 -43.73 98.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.178 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.05 -49.58 40.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.22 -45.19 91.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.3 mm -43.6 -64.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 94.4 m -42.14 -51.95 4.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.178 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.3 mtp -47.82 -55.38 9.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -61.9 -21.68 64.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -91.08 7.04 42.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.545 HD11 ' CD2' ' A' ' 81' ' ' TYR . 40.9 mt -92.3 -2.69 56.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.967 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.409 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 14.5 t -78.37 -59.18 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 2.8 mm-40 -121.18 50.14 1.98 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.7 Cg_endo -69.74 133.03 24.62 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.1 m -127.65 -69.17 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.8 mt -133.08 -44.93 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 92.0 p -88.2 21.64 2.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.793 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.4 p -57.17 -40.16 76.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.408 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 98.5 m-85 -111.99 43.23 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.941 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -49.24 35.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 7.0 tpp -69.02 -56.64 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.468 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -52.36 -46.55 66.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.408 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 39.0 tt0 -57.21 -56.62 19.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -63.72 -29.62 70.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.407 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -64.38 -51.44 63.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.859 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 122' ' ' ILE . 10.9 mm -71.04 -43.12 76.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -54.93 -36.84 65.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' ' 127' ' ' GLU . . . -72.19 -23.83 61.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.086 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.17 -40.41 27.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 37.6 mtm -74.29 -10.94 60.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.529 ' O ' HD23 ' A' ' 131' ' ' LEU . 3.8 pt-20 -99.86 -21.84 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 132' ' ' PRO . 8.5 ptmt -109.74 -9.31 14.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -115.81 -65.09 1.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 134' ' ' PHE . 44.8 m -71.87 -57.41 4.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.569 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.8 tp -37.75 -55.95 1.96 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.595 0.712 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.2 Cg_endo -69.87 -21.05 33.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.294 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 130' ' ' SER . 60.7 mtt180 -94.31 -12.93 27.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 130' ' ' SER . 23.4 t80 -88.59 -29.5 19.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.519 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 30.5 m -68.13 -34.03 64.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -75.85 -27.57 57.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 138' ' ' GLU . 28.4 p -73.11 138.17 45.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 140' ' ' TYR . 0.8 OUTLIER -37.06 -52.8 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.504 ' C ' ' O ' ' A' ' 138' ' ' GLU . 63.8 m-85 -29.07 -40.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.712 ' HA ' HD12 ' A' ' 143' ' ' LEU . 53.3 t80 -83.49 -48.47 10.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 138' ' ' GLU . 76.3 mm-40 -48.15 -32.25 6.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -79.11 -25.18 43.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.712 HD12 ' HA ' ' A' ' 140' ' ' TYR . 33.2 mt -73.98 -32.86 63.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.674 HD13 ' HE1' ' A' ' 140' ' ' TYR . 29.7 pt -104.6 -43.5 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.492 ' N ' HG13 ' A' ' 144' ' ' ILE . 1.5 m -103.75 40.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -59.36 -143.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 -1.4 8.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.319 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 32.7 t -115.64 157.25 24.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 74.3 m -87.09 172.87 9.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t -128.77 137.7 51.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.84 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 t -122.3 107.96 12.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.91 -178.93 32.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 m -117.2 117.72 30.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.91 0.386 . . . . 0.0 110.813 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.4 t -111.18 107.91 17.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.59 -81.3 0.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 160.25 50.42 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.601 2.201 . . . . 0.0 112.338 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -82.6 169.45 16.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -48.44 158.31 0.62 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.576 0.703 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 85.56 0.61 Allowed 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.652 2.235 . . . . 0.0 112.388 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.59 -175.45 3.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.1 pttt -84.78 42.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -93.53 142.54 27.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -113.04 40.15 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -110.66 163.2 13.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.811 HG21 ' CH2' ' A' ' 25' ' ' TRP . 96.2 m -141.33 130.12 22.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.24 154.53 24.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.49 -60.28 3.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.72 ' HA ' HD12 ' A' ' 23' ' ' LEU . 8.3 m-20 -54.69 -14.63 1.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 24' ' ' GLN . 18.1 tt0 -86.54 -59.08 2.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.59 -35.2 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.169 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.72 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.7 mt -69.84 -38.03 76.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' GLU . 33.9 mt-30 -55.89 -22.03 23.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.811 ' CH2' HG21 ' A' ' 17' ' ' THR . 48.3 m0 -71.45 -21.33 61.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -78.49 -41.64 31.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -55.06 -57.84 10.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -134.27 122.71 23.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 tp -44.63 -45.92 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 31' ' ' LYS . 11.1 t0 -36.7 -64.36 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 30' ' ' ASP . 16.7 mmtm -35.46 -43.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.412 HD12 ' HA3' ' A' ' 38' ' ' GLY . 26.1 tp -62.73 -66.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.8 mt -47.78 -46.64 30.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -55.57 -44.58 76.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -72.35 127.75 33.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -58.79 -45.61 89.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.43 ' CE2' HD23 ' A' ' 143' ' ' LEU . 2.0 t80 -61.12 -54.48 44.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.412 ' HA3' HD12 ' A' ' 32' ' ' LEU . . . -60.39 -46.75 93.74 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.433 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.5 tp -55.06 -61.63 2.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.808 0.337 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.21 -60.29 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.032 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 t -57.96 -46.85 84.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -49.22 -46.37 45.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.607 ' HG2' HD13 ' A' ' 55' ' ' LEU . 35.8 mtpt -58.72 -62.62 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 t -41.66 -41.66 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 134' ' ' PHE . 44.4 t80 -59.44 -49.91 75.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.59 HD22 ' O ' ' A' ' 51' ' ' SER . 74.6 mt -55.06 -46.11 75.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -51.15 -52.63 42.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.0 t -60.46 -30.99 70.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.446 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 39.7 mm-40 -88.64 -12.88 41.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 46' ' ' LEU . 24.4 m-85 72.04 34.7 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.815 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.59 ' O ' HD22 ' A' ' 46' ' ' LEU . 65.2 m -130.89 37.04 3.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -76.54 -22.61 54.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 91' ' ' LYS . 4.7 pt-20 -57.36 -32.78 67.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -59.7 -52.53 65.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.703 HD22 HD11 ' A' ' 59' ' ' ILE . 1.2 tt -63.84 -46.8 83.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -41.75 -57.73 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.463 ' HB2' HG11 ' A' ' 93' ' ' VAL . 24.1 t80 -49.24 -36.25 19.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -68.12 -60.64 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.703 HD11 HD22 ' A' ' 55' ' ' LEU . 27.4 mt -47.59 -46.38 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.4 -46.86 86.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.7 m -51.99 -56.15 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.04 -36.94 78.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -69.51 -34.09 73.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.543 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -64.66 -36.15 83.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.8 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.6 mttt -61.51 -30.1 70.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -67.66 -2.63 7.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.946 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.516 HG22 ' HG3' ' A' ' 73' ' ' MET . 57.4 mt -88.56 130.35 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.35 -25.21 8.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -53.21 139.8 44.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.656 0.741 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -15.45 37.34 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.9 -60.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.486 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -49.34 -40.41 35.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.516 ' HG3' HG22 ' A' ' 67' ' ' ILE . 12.6 mtp -57.0 -33.88 67.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.46 -53.08 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.467 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . 9.5 mt-10 -57.98 -58.1 9.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 27.2 tptt -49.92 -33.06 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -58.81 -44.54 90.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.087 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 75' ' ' GLU . 1.7 ptpt -69.33 -38.0 77.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -52.93 -50.88 63.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.8 mt -64.01 -29.13 46.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.75 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.5 OUTLIER -74.81 -45.79 41.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.492 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 4.9 mm-40 -66.11 -8.54 24.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.856 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 18.1 tt0 -104.84 -53.38 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -99.99 -53.63 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.544 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.21 25.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.697 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.4 152.96 22.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.5 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 46.1 m -58.74 132.76 54.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.424 ' HG2' HG22 ' A' ' 87' ' ' THR . 19.2 pt-20 40.54 32.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.856 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -52.73 162.66 0.92 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 0.0 111.073 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.65 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.5 Cg_endo -69.74 -32.72 18.09 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.636 2.224 . . . . 0.0 112.366 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 53' ' ' GLU . 8.7 mtpp -124.02 19.54 9.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.787 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 48.4 tt0 -45.87 97.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.463 HG11 ' HB2' ' A' ' 57' ' ' PHE . 34.1 m -51.82 -179.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -94.83 103.25 15.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -150.39 113.07 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -53.13 160.85 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -47.83 -35.67 10.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -51.71 -70.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.467 HG21 ' HG3' ' A' ' 121' ' ' ARG . 90.6 m -59.9 -51.61 68.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.446 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -45.55 -49.86 13.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.72 -46.76 81.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.5 mm -43.62 -66.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 88.7 m -39.44 -51.57 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.8 mtp -48.43 -57.05 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.492 ' O ' HG12 ' A' ' 108' ' ' VAL . 6.8 mtpp -60.1 -17.38 39.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -92.88 -3.37 54.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.75 HD11 ' CD2' ' A' ' 81' ' ' TYR . 92.9 mt -85.07 4.4 34.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 105' ' ' LYS . 7.3 p -92.03 -42.94 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.618 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 38.5 mm-40 -130.8 43.53 1.14 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.615 0.721 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.6 Cg_endo -69.71 135.71 31.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.383 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.6 t -133.4 -67.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 112' ' ' LEU . 10.1 mt -134.81 -38.9 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 51.2 p -95.74 24.16 5.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.1 m -53.85 -49.59 68.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.432 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 42.7 m-85 -102.83 38.81 1.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -64.17 -41.89 96.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 6.2 tpp -78.76 -59.59 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.438 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -49.41 -41.41 39.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.432 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 46.4 tt0 -60.94 -56.9 15.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -27.66 69.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.467 ' HG3' HG21 ' A' ' 99' ' ' THR . 0.2 OUTLIER -65.0 -51.35 62.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 122' ' ' ILE . 11.7 mm -69.93 -42.98 79.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -54.85 -35.86 64.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 127' ' ' GLU . . . -73.87 -21.4 60.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.81 -44.67 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.413 ' SD ' ' HA ' ' A' ' 55' ' ' LEU . 42.6 mtm -67.44 -10.87 55.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.616 ' O ' HD23 ' A' ' 131' ' ' LEU . 5.0 pt-20 -98.52 -21.94 16.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.438 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -112.02 -5.32 14.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 132' ' ' PRO . 16.7 t0 -115.43 -67.33 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 134' ' ' PHE . 22.5 p -75.56 -53.22 8.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 127' ' ' GLU . 5.1 tp -39.79 -54.25 4.23 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.66 0.743 . . . . 0.0 110.962 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 52.7 Cg_endo -69.83 -19.8 35.32 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.672 2.248 . . . . 0.0 112.326 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.5 mmm180 -96.05 -14.08 23.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 130' ' ' SER . 20.2 t80 -87.65 -40.39 14.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.448 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 33.0 m -64.0 -23.45 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 23.5 mmm-85 -71.75 -41.0 68.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 138' ' ' GLU . 53.4 p -69.27 135.37 50.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.786 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 139' ' ' PHE . 1.2 mt-10 -36.27 -36.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 138' ' ' GLU . 72.8 m-85 -34.55 -42.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.873 ' HA ' HD12 ' A' ' 143' ' ' LEU . 69.5 t80 -83.71 -43.39 15.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 145' ' ' SER . 67.4 mm-40 -52.94 -34.93 57.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -74.76 -17.12 60.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.873 HD12 ' HA ' ' A' ' 140' ' ' TYR . 33.9 mt -80.5 -21.95 41.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.479 HG13 ' N ' ' A' ' 145' ' ' SER . 26.2 pt -110.48 -44.06 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.479 ' N ' HG13 ' A' ' 144' ' ' ILE . 2.3 m -87.76 -46.59 9.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.412 ' HA3' ' HD2' ' A' ' 147' ' ' PRO . . . 48.01 -140.29 9.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.412 ' HD2' ' HA3' ' A' ' 146' ' ' GLY . 53.1 Cg_endo -69.82 9.46 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.649 2.233 . . . . 0.0 112.326 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 145' ' ' SER . 2.6 m -41.12 163.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 32.7 p -146.13 137.36 24.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.495 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 t 58.99 42.95 18.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.865 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.7 p -126.35 128.25 46.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.42 142.65 13.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m 53.98 45.55 27.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.399 . . . . 0.0 110.882 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.7 p -109.84 43.22 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.01 100.36 2.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 128.35 15.84 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.615 2.21 . . . . 0.0 112.376 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -55.85 172.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' C ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -113.38 145.68 33.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.52 0.676 . . . . 0.0 110.902 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 170.67 15.93 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -168.61 137.53 2.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.006 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.62 143.25 23.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.2 t -70.84 159.14 35.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.169 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -133.36 175.1 9.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -153.94 177.98 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.742 HG21 ' CH2' ' A' ' 25' ' ' TRP . 99.4 m -136.24 138.18 41.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -90.78 159.87 16.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.794 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 19' ' ' LEU . 1.2 tm? -58.75 -56.34 23.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.597 ' HA ' HD12 ' A' ' 23' ' ' LEU . 3.5 m-20 -53.03 -22.37 5.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 24' ' ' GLN . 3.8 tp10 -81.72 -58.48 2.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -38.53 -35.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.116 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.3 mt -71.69 -39.72 70.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 21' ' ' GLU . 24.1 mt-30 -55.95 -21.89 23.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.742 ' CH2' HG21 ' A' ' 17' ' ' THR . 45.2 m0 -69.64 -18.69 63.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -79.34 -36.68 39.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -53.19 -58.67 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.2 t -135.46 136.41 41.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.82 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.5 tp -53.3 -42.33 66.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' LYS . 4.7 m-20 -46.06 -61.75 1.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' ASP . 3.2 mtpm? -36.41 -41.89 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 30.6 tp -66.34 -63.72 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.498 HD13 ' CE3' ' A' ' 58' ' ' TRP . 74.1 mt -48.15 -50.41 28.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -50.59 -45.64 57.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.19 124.62 25.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -57.2 -46.94 82.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.601 ' CB ' ' HG1' ' A' ' 17' ' ' THR . 2.1 t80 -58.48 -57.14 14.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.958 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.2 -40.41 95.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.2 tp -61.34 -63.11 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -40.33 -52.23 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.9 m -65.63 -45.74 81.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.768 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.41 ' HZ ' ' HG ' ' A' ' 130' ' ' SER . 18.8 t80 -50.74 -43.79 58.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.633 ' HG2' HD13 ' A' ' 55' ' ' LEU . 39.0 mtpt -61.07 -64.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 t -38.94 -46.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.808 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.544 ' CZ ' ' HG3' ' A' ' 49' ' ' GLU . 29.3 t80 -54.3 -46.76 72.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.704 HD22 ' O ' ' A' ' 51' ' ' SER . 51.9 mt -57.5 -46.07 84.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -45.89 -53.83 9.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.8 t -62.62 -42.45 99.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.816 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.544 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 13.2 mm-40 -73.81 -14.67 61.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' LEU . 22.3 m-85 69.4 35.56 2.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.704 ' O ' HD22 ' A' ' 46' ' ' LEU . 36.5 m -131.19 36.61 3.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.839 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.571 ' HA ' HD13 ' A' ' 46' ' ' LEU . 8.5 tt0 -76.2 -23.07 54.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.48 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 25.6 pm0 -56.7 -32.03 65.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.48 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 4.7 m-20 -61.76 -49.52 76.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.664 HD22 ' CD1' ' A' ' 59' ' ' ILE . 0.8 OUTLIER -66.87 -51.27 57.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' CD ' ' HE2' ' A' ' 91' ' ' LYS . 13.6 mt-10 -39.09 -59.51 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -46.76 -34.25 5.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.498 ' CE3' HD13 ' A' ' 33' ' ' LEU . 39.2 t90 -72.46 -63.74 1.09 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.664 ' CD1' HD22 ' A' ' 55' ' ' LEU . 44.9 mt -44.34 -44.86 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.86 -54.31 48.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.144 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 51.9 m -42.59 -55.53 3.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -55.4 -41.25 72.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.84 -16.99 64.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.565 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -88.62 -27.25 21.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.003 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -68.79 -34.04 74.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -78.68 12.53 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.491 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 26.5 mt -90.24 113.83 26.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 69' ' ' SER . 2.8 pptp? -94.33 -32.4 13.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.405 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 3.1 m -49.62 134.16 19.31 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.66 0.743 . . . . 0.0 110.864 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.64 -29.01 25.15 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.696 2.264 . . . . 0.0 112.388 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.83 -45.4 12.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.491 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 2.8 tptm -60.4 -52.1 66.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.44 ' HG3' HG22 ' A' ' 67' ' ' ILE . 14.1 mtp -42.18 -39.63 2.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -88.04 -61.71 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.037 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -47.96 -56.21 8.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -51.09 -46.04 61.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.457 ' HB2' ' HE2' ' A' ' 64' ' ' TYR . . . -46.04 -48.13 16.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.14 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.498 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 4.1 pttp -62.73 -38.35 90.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.498 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 20.4 mt-30 -53.92 -51.46 63.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.9 mt -61.11 -29.61 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.604 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -76.58 -46.03 27.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.51 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 15.6 mt-10 -65.75 -8.28 20.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.862 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 20.6 tt0 -106.15 -52.15 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -100.78 -54.03 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.568 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.2 mm -80.24 28.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.182 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.681 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.52 150.52 25.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.483 HG22 ' HG3' ' A' ' 88' ' ' GLU . 20.2 m -61.17 123.18 16.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.483 ' HG3' HG22 ' A' ' 87' ' ' THR . 18.2 mt-10 53.45 27.51 6.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.862 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -50.69 161.4 0.65 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.54 0.686 . . . . 0.0 111.083 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.607 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.9 Cg_endo -69.82 -28.23 25.22 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.691 2.26 . . . . 0.0 112.306 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.404 ' HE2' ' CD ' ' A' ' 56' ' ' GLU . 8.7 mtpp -124.25 17.9 9.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.814 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 36.0 tt0 -40.19 99.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.415 HG23 HG12 ' A' ' 95' ' ' ILE . 29.0 m -58.92 -179.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -94.92 99.59 11.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.415 HG12 HG23 ' A' ' 93' ' ' VAL . 1.0 OUTLIER -149.25 112.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -50.92 162.39 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -50.17 -38.69 40.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -48.39 -69.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.405 HG21 ' HG3' ' A' ' 121' ' ' ARG . 22.2 m -60.94 -52.38 65.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.173 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.409 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -43.64 -46.41 7.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -60.76 -44.26 96.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.509 HG13 ' HE2' ' A' ' 117' ' ' MET . 30.8 mm -43.72 -63.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 89.0 m -43.08 -52.22 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.0 mtp -48.8 -57.13 6.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -60.43 -13.57 14.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -97.31 -0.05 47.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.564 HD11 ' CD2' ' A' ' 81' ' ' TYR . 98.1 mt -88.24 3.39 49.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 109' ' ' GLU . 7.4 p -90.73 -40.87 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.615 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 6.1 mm-40 -133.93 43.95 1.13 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.652 0.739 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.78 125.59 12.31 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.627 2.218 . . . . 0.0 112.399 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.4 t -120.1 -67.39 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 112' ' ' LEU . 9.6 mt -133.64 -45.28 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.1 p -90.63 24.01 2.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.458 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 6.1 p -53.37 -38.76 63.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.866 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.41 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 69.1 m-85 -115.32 48.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -78.64 -50.23 11.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.509 ' HE2' HG13 ' A' ' 102' ' ' ILE . 0.5 OUTLIER -65.42 -59.42 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.93 -43.17 63.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.15 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.41 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 5.2 tp60 -58.63 -58.74 7.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -61.08 -26.79 67.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.405 ' HG3' HG21 ' A' ' 99' ' ' THR . 0.0 OUTLIER -66.71 -53.06 37.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 122' ' ' ILE . 8.0 mm -68.07 -46.45 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.403 ' ND1' ' C ' ' A' ' 123' ' ' HIS . 3.6 t-80 -52.47 -36.49 54.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' ' 128' ' ' LYS . . . -72.21 -22.74 61.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -84.44 -35.2 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 50.3 mtm -75.55 -9.04 58.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.605 ' O ' HD23 ' A' ' 131' ' ' LEU . 3.3 pt-20 -96.76 -25.19 15.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 124' ' ' ALA . 2.7 pttp -112.65 -5.35 13.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.807 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 9.0 t0 -110.19 -67.17 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.878 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 133' ' ' ARG . 93.2 p -80.85 -54.91 5.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.618 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.1 tp -35.13 -53.04 1.17 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.6 Cg_endo -69.79 -27.89 25.77 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.298 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 130' ' ' SER . 19.1 mtp180 -87.42 -14.23 41.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 130' ' ' SER . 22.4 t80 -82.22 -52.69 6.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.443 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 32.5 m -53.74 -27.7 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -68.15 -47.85 66.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 138' ' ' GLU . 54.3 p -61.65 135.48 57.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 139' ' ' PHE . 3.7 mm-40 -36.39 -35.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' A' ' 138' ' ' GLU . 44.5 m-85 -34.07 -42.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.66 ' HA ' HD12 ' A' ' 143' ' ' LEU . 63.1 t80 -84.02 -49.27 9.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 145' ' ' SER . 85.7 mm-40 -44.72 -30.5 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 3.6 pt-20 -78.85 -32.25 45.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 140' ' ' TYR . 30.9 mt -64.32 -35.13 79.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 145' ' ' SER . 31.5 pt -97.46 -41.55 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 4.4 t -78.05 -55.27 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 47.91 -172.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -46.6 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.359 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 149' ' ' SER . 19.6 m -87.09 41.35 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 148' ' ' SER . 32.8 t 34.38 41.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.807 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 m -119.04 116.5 26.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.9 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -111.41 163.31 14.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.0 111.29 4.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.432 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -157.73 123.88 4.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 m -101.04 112.08 24.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.49 60.39 0.52 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.08 46.77 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.646 2.231 . . . . 0.0 112.311 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -136.59 155.28 50.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -165.76 129.74 1.69 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.569 0.699 . . . . 0.0 110.918 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -169.33 0.32 Allowed 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.67 2.247 . . . . 0.0 112.319 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.39 136.84 16.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -169.8 145.91 3.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.2 t -121.26 170.87 9.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -166.35 176.17 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -117.49 -178.14 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.651 HG21 ' CH2' ' A' ' 25' ' ' TRP . 51.9 m -118.02 149.23 41.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -108.13 161.08 15.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.05 -62.87 1.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.645 ' HA ' HD12 ' A' ' 23' ' ' LEU . 7.9 t0 -52.19 -19.63 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 24' ' ' GLN . 2.7 tp10 -82.29 -57.97 3.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.59 -33.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.8 mt -73.4 -38.56 65.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 21' ' ' GLU . 27.4 mt-30 -56.32 -19.54 14.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.793 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 46.8 m0 -71.28 -19.61 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 26' ' ' ARG . 37.1 mtp180 -76.26 -40.58 51.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.23 -60.28 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.0 t -134.08 129.22 35.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.771 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 tp -48.83 -40.34 28.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -47.1 -57.45 5.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -41.76 -36.33 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' A' ' 42' ' ' PHE . 32.4 tp -71.07 -62.09 1.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.7 mt -50.33 -48.73 55.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.961 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -49.44 -47.63 48.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -73.21 133.8 44.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -59.81 -58.08 10.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.409 ' CE2' ' CD2' ' A' ' 143' ' ' LEU . 1.9 t80 -49.73 -52.56 30.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.11 -47.53 90.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.51 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.8 tp -58.26 -65.03 0.71 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.795 0.331 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.39 -52.49 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 t -62.1 -53.1 60.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.427 ' HB2' HD21 ' A' ' 32' ' ' LEU . 33.2 t80 -46.47 -44.68 17.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -55.72 -61.13 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -44.27 -46.66 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -51.89 -45.77 64.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.568 HD22 ' O ' ' A' ' 51' ' ' SER . 80.0 mt -65.03 -43.41 92.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -48.54 -53.81 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m -65.29 -41.24 94.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -73.45 -12.76 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' LEU . 30.5 m-85 68.9 36.16 2.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.568 ' O ' HD22 ' A' ' 46' ' ' LEU . 31.9 m -130.98 35.31 3.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -75.29 -25.44 57.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.434 ' HB2' ' HB3' ' A' ' 91' ' ' LYS . 4.0 pt-20 -54.16 -36.58 63.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -57.75 -53.87 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.744 HD22 ' CD1' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -61.73 -51.03 70.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -39.22 -54.68 1.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.553 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 22.1 t80 -50.17 -35.71 27.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' LEU . 53.1 t90 -71.0 -60.12 2.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.744 ' CD1' HD22 ' A' ' 55' ' ' LEU . 36.1 mt -49.58 -46.88 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.83 -51.92 67.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.3 m -45.01 -64.08 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -48.03 -42.28 27.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -63.87 -25.81 68.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.599 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -82.52 -20.54 36.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.835 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.476 ' O ' HD22 ' A' ' 112' ' ' LEU . 14.7 mmtp -69.15 -34.08 74.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.843 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -81.09 19.36 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.915 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.57 HG22 ' HG3' ' A' ' 73' ' ' MET . 22.1 mt -96.18 116.07 37.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.41 ' C ' ' HD3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -99.59 -35.73 9.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -43.78 135.01 3.77 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.667 0.746 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 -26.39 28.15 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.36 -37.3 14.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.467 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 2.7 tptm -68.66 -50.09 53.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.57 ' HG3' HG22 ' A' ' 67' ' ' ILE . 8.8 mtp -46.93 -35.99 7.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.876 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.54 -59.35 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -50.94 -59.8 3.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.451 ' HG2' ' CD1' ' A' ' 67' ' ' ILE . 42.6 tptt -46.47 -46.73 19.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -47.06 -52.08 15.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.485 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -58.38 -38.31 77.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.485 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 55.8 mt-30 -54.01 -55.78 24.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 41.0 mt -57.64 -26.0 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.616 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -80.31 -43.56 21.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.493 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 9.2 mt-10 -67.89 -8.56 37.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.861 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 14.3 tt0 -105.78 -51.83 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -100.56 -53.89 2.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.557 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.72 26.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.715 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -106.21 154.97 19.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.47 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 91.3 m -59.86 135.61 57.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 37.55 31.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.806 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.861 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -51.28 160.66 0.88 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.583 0.706 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 54.4 Cg_endo -69.75 -29.39 23.99 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.732 2.288 . . . . 0.0 112.391 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.434 ' HB3' ' HB2' ' A' ' 53' ' ' GLU . 7.3 mtpp -123.97 17.61 9.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.579 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 25.2 tt0 -41.25 100.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.94 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.648 HG23 HG12 ' A' ' 95' ' ' ILE . 35.8 m -57.93 179.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -94.24 94.44 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.648 HG12 HG23 ' A' ' 93' ' ' VAL . 1.3 pt -143.46 112.92 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -52.03 163.07 0.39 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -51.83 -38.82 57.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -49.39 -64.96 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.448 HG21 ' HG3' ' A' ' 121' ' ' ARG . 38.1 m -64.93 -48.39 74.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.144 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.18 -44.86 22.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.97 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -61.9 -45.44 93.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.802 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.7 mm -44.77 -64.4 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.452 ' OG1' ' HB2' ' A' ' 118' ' ' ALA . 84.8 m -41.16 -52.24 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.3 mtp -47.57 -56.47 7.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.84 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -60.2 -19.56 54.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -92.17 6.29 47.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.564 HD11 ' CD2' ' A' ' 81' ' ' TYR . 40.4 mt -92.16 -1.99 56.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.0 t -77.41 -58.26 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 1.0 OUTLIER -124.19 50.69 3.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.73 . . . . 0.0 110.857 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.8 Cg_endo -69.75 132.02 22.47 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.727 2.285 . . . . 0.0 112.369 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.5 m -124.23 -71.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 65' ' ' LYS . 56.4 mt -131.93 -44.32 0.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.9 m -91.69 22.89 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.454 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 2.6 p -58.54 -41.21 85.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.869 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -106.41 31.67 5.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -59.68 -54.33 47.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.412 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 4.1 tpp -62.64 -60.87 2.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.553 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -47.65 -39.9 18.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.039 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -65.87 -54.81 21.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 117' ' ' MET . 3.1 pttp -63.08 -27.89 69.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.448 ' HG3' HG21 ' A' ' 99' ' ' THR . 0.2 OUTLIER -66.15 -60.03 3.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 122' ' ' ILE . 13.0 mm -61.21 -42.01 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.21 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -55.64 -37.1 67.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 127' ' ' GLU . . . -71.12 -19.16 62.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -86.7 -55.76 3.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 26.0 mtm -58.5 -10.65 2.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.62 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.9 pt-20 -97.28 -26.1 15.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 -1.27 15.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.1 t70 -116.58 -66.67 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 133' ' ' ARG . 5.3 p -79.49 -52.41 8.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.628 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.5 tp -38.91 -52.72 3.71 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.621 0.724 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.628 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.7 Cg_endo -69.75 -22.25 32.41 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.595 2.197 . . . . 0.0 112.382 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 130' ' ' SER . 38.0 mmm-85 -93.2 -14.67 26.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.0 t80 -85.92 -33.41 21.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.515 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 34.2 m -70.78 -22.98 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 27.5 mmm-85 -75.25 -46.82 31.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 91.7 p -57.24 169.46 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 139' ' ' PHE . 1.6 tt0 -68.56 -39.91 80.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 138' ' ' GLU . 94.6 m-85 -36.92 -39.4 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.515 ' CG ' ' HA ' ' A' ' 135' ' ' VAL . 63.1 t80 -86.81 -56.14 3.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.686 ' HA ' HD11 ' A' ' 144' ' ' ILE . 90.7 mm-40 -42.4 -30.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 5.5 pt-20 -76.65 -34.87 58.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.793 HD13 ' HZ3' ' A' ' 25' ' ' TRP . 58.9 mt -53.15 -32.5 48.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.832 HD13 ' H ' ' A' ' 144' ' ' ILE . 0.2 OUTLIER -108.24 -34.12 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 41.5 t -69.81 -61.26 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 145' ' ' SER . . . 33.72 -151.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.448 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 84.87 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.682 2.254 . . . . 0.0 112.306 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 18.4 p -165.02 -179.44 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.81 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.49 174.12 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.428 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -74.94 136.98 41.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.795 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -112.6 99.79 8.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.56 -145.24 17.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.2 p -153.06 168.18 26.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.907 0.384 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 m -160.42 158.72 29.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.814 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.03 103.07 0.45 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.431 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 173.35 11.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -105.37 178.52 4.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -130.28 154.5 81.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.606 0.717 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 179.26 3.85 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.655 2.237 . . . . 0.0 112.306 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.39 -175.17 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.061 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -91.38 178.09 6.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.2 t -105.29 171.8 7.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -79.69 -177.61 5.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 mmtm -124.93 174.06 8.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.744 HG21 ' CH2' ' A' ' 25' ' ' TRP . 89.7 m -84.85 142.66 29.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -85.17 163.48 18.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.7 OUTLIER -62.93 -55.86 22.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.525 ' HA ' HD12 ' A' ' 23' ' ' LEU . 12.1 t0 -57.48 -12.18 2.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 24' ' ' GLN . 4.5 tp10 -91.0 -59.14 2.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.57 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -38.8 -29.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.0 mt -76.94 -41.09 44.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 21' ' ' GLU . 13.2 mt-30 -55.51 -15.81 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.968 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.744 ' CH2' HG21 ' A' ' 17' ' ' THR . 40.0 m0 -71.79 -23.03 61.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.401 ' HG2' HG11 ' A' ' 135' ' ' VAL . 64.9 mtp180 -72.81 -38.79 67.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.825 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -50.72 -59.16 4.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.5 t -135.32 138.51 43.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.5 tp -56.89 -30.09 63.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -56.06 -57.15 13.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' O ' ' CD1' ' A' ' 25' ' ' TRP . 12.1 mtpp -46.4 -25.71 0.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.8 tp -81.78 -59.13 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.9 mt -54.81 -47.14 74.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -53.15 -45.94 68.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -74.38 114.36 12.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -42.8 -59.32 2.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -45.72 -61.24 1.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -53.13 -50.0 53.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.0 tp -55.14 -63.96 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.32 -54.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.2 t -65.19 -38.25 89.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -58.06 -39.24 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.714 ' HG2' HD13 ' A' ' 55' ' ' LEU . 35.7 mtpt -64.44 -63.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 t -39.77 -41.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.529 ' CD2' HD12 ' A' ' 46' ' ' LEU . 10.9 t80 -56.09 -49.92 72.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.756 HD23 ' HA ' ' A' ' 52' ' ' GLU . 7.1 mp -55.41 -49.08 73.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -44.0 -37.82 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.5 t -68.06 -36.57 80.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -91.96 -3.82 55.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 63.69 28.84 15.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.15 25.05 10.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.756 ' HA ' HD23 ' A' ' 46' ' ' LEU . 16.2 tt0 -65.57 -13.75 59.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.458 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 23.0 pm0 -66.63 -34.81 78.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.458 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 12.4 m-20 -59.51 -33.83 71.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.731 HD22 ' CD1' ' A' ' 59' ' ' ILE . 1.1 tt -79.51 -45.3 19.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -46.19 -52.1 13.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.426 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 18.1 t80 -52.74 -36.02 57.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -69.98 -62.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.731 ' CD1' HD22 ' A' ' 55' ' ' LEU . 38.2 mt -46.5 -42.74 5.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.094 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.78 -41.67 82.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 33.8 m -56.74 -53.29 59.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.64 -32.14 71.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -72.76 -32.32 65.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.532 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -69.86 -29.15 66.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -64.78 -21.24 66.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -85.47 18.32 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.694 HG22 ' HG3' ' A' ' 73' ' ' MET . 22.6 mt -105.07 132.9 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.46 -6.01 8.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 t -71.34 135.96 84.21 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -8.64 24.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.245 . . . . 0.0 112.381 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -104.96 -44.81 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.506 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 4.2 tptp -70.09 -46.74 64.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.694 ' HG3' HG22 ' A' ' 67' ' ' ILE . 11.3 mtp -49.03 -34.02 12.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.2 -58.39 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -54.31 -57.58 10.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.436 ' NZ ' HD11 ' A' ' 80' ' ' ILE . 24.3 tptp -44.74 -37.99 4.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -59.52 -48.93 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -58.67 -34.35 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -61.87 -58.32 8.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.436 HD11 ' NZ ' ' A' ' 76' ' ' LYS . 31.2 mt -55.79 -25.14 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.127 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.613 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -82.2 -44.16 16.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 6.5 mm-40 -67.2 -8.38 30.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.868 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 15.6 tt0 -105.36 -53.1 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -99.63 -53.51 3.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.553 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.56 25.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.195 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.595 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -106.17 152.74 23.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.488 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 31.7 m -57.11 137.14 56.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.465 ' HG2' HG22 ' A' ' 87' ' ' THR . 13.3 pt-20 35.88 31.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.868 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -49.18 160.91 0.48 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.699 . . . . 0.0 111.132 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.605 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.6 Cg_endo -69.74 -32.73 18.06 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.688 2.258 . . . . 0.0 112.346 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 92' ' ' GLU . 9.6 mtpp -122.64 11.86 9.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.816 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 58.6 tt0 -35.2 105.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.665 HG23 HG12 ' A' ' 95' ' ' ILE . 36.0 m -58.93 -176.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -97.38 92.19 5.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.665 HG12 HG23 ' A' ' 93' ' ' VAL . 1.2 pt -139.78 113.86 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -53.35 155.49 2.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.966 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -45.44 -34.92 3.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -52.07 -70.78 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 56.2 m -59.26 -49.26 78.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.49 -48.06 19.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.22 -43.67 92.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 24.6 mm -46.9 -63.63 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.445 ' OG1' ' HB2' ' A' ' 118' ' ' ALA . 95.0 m -42.14 -51.84 4.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mtp -45.77 -53.44 9.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -62.82 -21.99 66.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -89.64 6.91 39.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.803 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.517 HD11 ' CD2' ' A' ' 81' ' ' TYR . 23.3 mt -92.44 -3.29 55.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.7 t -77.49 -58.72 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 1.6 pt-20 -122.72 51.22 3.26 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.682 0.753 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.78 137.08 34.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.3 t -132.63 -70.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.775 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.5 mt -132.5 -45.26 0.9 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.6 p -88.57 20.76 3.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 p -57.67 -49.02 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -99.53 29.14 4.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -58.26 -54.72 43.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 3.4 tpp -63.65 -63.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.445 ' HB2' ' OG1' ' A' ' 103' ' ' THR . . . -45.13 -42.39 8.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -63.46 -54.54 34.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -63.8 -25.12 68.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.453 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -71.07 -49.81 40.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.405 ' HA ' HD13 ' A' ' 122' ' ' ILE . 7.1 mm -72.69 -42.57 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -54.31 -39.45 67.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.83 -22.86 62.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.03 -38.15 27.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 44.9 mtm -76.04 -11.13 59.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.698 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.1 pt-20 -99.45 -21.6 15.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 132' ' ' PRO . 12.1 ptmt -109.35 -10.36 14.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.503 ' O ' ' CG ' ' A' ' 133' ' ' ARG . 7.7 t70 -113.54 -65.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 133' ' ' ARG . 40.7 m -73.01 -59.69 2.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.698 HD23 ' O ' ' A' ' 127' ' ' GLU . 4.2 tp -34.11 -56.09 0.76 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.2 Cg_endo -69.75 -26.45 27.62 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.7 2.266 . . . . 0.0 112.275 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 130' ' ' SER . 15.4 mmm180 -88.26 -12.82 42.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 130' ' ' SER . 14.4 t80 -86.53 -38.14 17.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.463 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 27.6 m -67.11 -15.48 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 22.8 mmm-85 -82.57 -38.64 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 75.2 p -71.71 138.84 48.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 140' ' ' TYR . 0.8 OUTLIER -38.56 -43.64 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.472 ' C ' ' O ' ' A' ' 138' ' ' GLU . 86.9 m-85 -32.19 -37.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.666 ' HA ' HD12 ' A' ' 143' ' ' LEU . 73.1 t80 -87.96 -53.58 4.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.049 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.582 ' HA ' HD11 ' A' ' 144' ' ' ILE . 57.5 mm-40 -40.94 -40.45 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 139' ' ' PHE . 0.3 OUTLIER -68.37 -34.5 76.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 140' ' ' TYR . 83.6 mt -52.56 -21.54 3.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.582 HD11 ' HA ' ' A' ' 141' ' ' GLN . 0.1 OUTLIER -121.33 -35.87 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.029 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.458 ' N ' HG12 ' A' ' 144' ' ' ILE . 3.7 m -77.94 -15.78 58.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -74.46 -158.89 6.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.551 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 95.49 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.736 2.291 . . . . 0.0 112.332 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.2 t -170.23 149.28 3.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 72.1 m -92.82 130.33 38.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.514 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -141.91 159.96 41.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.86 0.362 . . . . 0.0 110.8 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 t -156.36 154.01 29.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.67 131.19 2.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 p -63.37 122.8 17.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.901 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 t -74.89 124.47 26.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.46 82.58 0.84 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.548 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 151.71 69.33 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.622 2.215 . . . . 0.0 112.361 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -159.64 116.33 2.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -119.15 139.14 27.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.59 0.709 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -168.71 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.339 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.25 -62.2 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.74 156.89 17.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.97 -176.99 3.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.212 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.442 ' OE1' ' N ' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -73.69 147.12 43.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.953 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' N ' ' OE1' ' A' ' 15' ' ' GLN . 32.3 mmtp -83.07 141.15 32.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.881 HG21 ' CH2' ' A' ' 25' ' ' TRP . 83.4 m -43.81 139.86 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -101.09 155.64 17.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -47.1 -62.92 1.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.67 ' HA ' HD12 ' A' ' 23' ' ' LEU . 2.5 t70 -51.39 -16.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 24' ' ' GLN . 10.8 tt0 -85.5 -58.36 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.573 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . . . -41.09 -32.37 0.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.8 mt -74.22 -37.48 63.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' GLU . 12.4 mt-30 -55.12 -19.59 7.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.881 ' CH2' HG21 ' A' ' 17' ' ' THR . 34.4 m0 -74.43 -23.47 58.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.403 ' HG2' HG11 ' A' ' 135' ' ' VAL . 50.0 mtp180 -71.06 -41.86 70.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -54.73 -57.84 9.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -135.3 137.59 42.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.401 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 7.0 tp -56.75 -45.67 81.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -38.38 -59.61 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.476 ' C ' ' HG2' ' A' ' 34' ' ' GLN . 14.2 mmtm -40.17 -37.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.479 HD12 ' HA3' ' A' ' 38' ' ' GLY . 27.0 tp -67.75 -66.78 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.2 mt -45.41 -52.55 9.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.476 ' HG2' ' C ' ' A' ' 31' ' ' LYS . 6.6 pt20 -50.74 -34.87 28.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.464 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 3.1 t-20 -82.01 132.43 35.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.47 ' CG ' ' N ' ' A' ' 37' ' ' TYR . 4.9 p30 -60.02 -54.58 44.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.47 ' N ' ' CG ' ' A' ' 36' ' ' ASN . 1.8 t80 -58.45 -54.2 49.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.479 ' HA3' HD12 ' A' ' 32' ' ' LEU . . . -55.89 -42.17 85.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.472 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.5 tp -62.6 -63.33 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.66 -57.03 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.0 p -60.84 -35.61 77.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.436 ' HB2' HD21 ' A' ' 32' ' ' LEU . 22.0 t80 -61.65 -40.06 93.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.838 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.559 ' HG2' HD13 ' A' ' 55' ' ' LEU . 34.3 mtpt -62.71 -62.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' LYS . 2.6 t -37.89 -55.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -44.56 -46.07 9.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.427 ' HB3' ' C ' ' A' ' 51' ' ' SER . 87.1 mt -65.39 -51.66 58.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -42.01 -42.13 2.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.4 t -75.77 -36.78 59.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.531 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 4.7 mm-40 -87.94 16.84 5.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.531 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 50.1 p90 45.68 29.72 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.427 ' C ' ' HB3' ' A' ' 46' ' ' LEU . 47.4 m -116.76 25.1 10.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.791 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -71.11 -23.55 62.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 9.6 pm0 -61.65 -29.13 69.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.423 ' C ' ' SD ' ' A' ' 126' ' ' MET . 2.1 m-20 -61.03 -51.27 69.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 59' ' ' ILE . 0.4 OUTLIER -66.22 -49.04 68.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.945 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -39.6 -59.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.519 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 18.6 t80 -46.3 -33.46 3.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.418 ' CD1' ' NE2' ' A' ' 119' ' ' GLN . 28.3 t90 -73.25 -65.6 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.576 ' CD1' HD22 ' A' ' 55' ' ' LEU . 50.3 mt -45.3 -42.85 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.14 -53.89 51.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.052 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 55.8 m -44.72 -60.83 1.83 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -48.93 -41.77 34.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -65.96 -23.29 66.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -83.43 -19.14 36.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.973 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -72.24 -33.39 67.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -81.44 19.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.543 HG22 ' HG3' ' A' ' 73' ' ' MET . 10.5 mt -98.26 112.54 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -95.69 -32.45 12.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.809 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.409 ' N ' ' HD2' ' A' ' 68' ' ' LYS . 2.1 m -46.76 133.33 8.35 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.656 0.741 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -24.56 29.27 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.503 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -91.58 -36.32 13.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.084 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.466 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -70.92 -47.78 57.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.837 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.543 ' HG3' HG22 ' A' ' 67' ' ' ILE . 8.6 mtp -48.99 -37.04 19.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.26 -54.79 3.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 5.0 mm-40 -54.57 -59.26 4.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 28.5 tptt -46.94 -42.8 18.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -50.69 -49.4 57.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.057 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.7 pttp -59.24 -34.04 71.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -60.47 -58.38 8.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.6 mt -53.7 -32.93 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.628 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.3 OUTLIER -75.93 -44.02 42.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.507 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 6.3 mm-40 -67.04 -8.76 32.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.86 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 16.9 tt0 -105.47 -51.08 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.402 ' C ' ' H ' ' A' ' 86' ' ' GLN . 68.0 m-85 -101.91 -54.72 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.564 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.3 mm -78.84 26.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.684 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -104.83 152.2 22.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.495 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 84.0 m -58.34 126.18 26.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.181 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.426 ' HG2' HG22 ' A' ' 87' ' ' THR . 21.3 mm-40 46.22 30.21 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.86 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -50.43 162.11 0.56 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.614 0.721 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.639 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.7 Cg_endo -69.72 -29.47 23.99 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.756 2.304 . . . . 0.0 112.319 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -123.82 16.98 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 30.4 tt0 -41.41 100.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.465 HG11 ' HB2' ' A' ' 57' ' ' PHE . 23.4 m -57.99 -175.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.106 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -98.42 98.44 9.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.2 pt -145.72 112.84 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.407 ' OD2' ' HB3' ' A' ' 98' ' ' PHE . 9.7 p-10 -52.58 160.39 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -48.58 -38.52 20.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.407 ' HB3' ' OD2' ' A' ' 96' ' ' ASP . 22.8 t80 -48.46 -70.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.407 HG21 ' HG3' ' A' ' 121' ' ' ARG . 25.8 m -60.3 -53.56 56.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.37 -47.15 6.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.975 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.4 -44.46 95.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.2 mm -46.29 -63.73 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.438 ' OG1' ' HB2' ' A' ' 118' ' ' ALA . 99.7 m -41.58 -51.15 4.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.5 mtp -48.01 -55.39 10.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.427 ' O ' HG12 ' A' ' 108' ' ' VAL . 7.0 mtpp -61.66 -14.42 30.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.932 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -95.94 0.32 51.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.628 HD11 ' CD2' ' A' ' 81' ' ' TYR . 92.3 mt -89.21 2.86 53.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 105' ' ' LYS . 7.6 p -89.29 -41.42 13.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 50.6 mt-10 -134.38 44.94 1.32 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.661 0.743 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.6 Cg_endo -69.74 132.36 23.2 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.708 2.272 . . . . 0.0 112.381 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -127.08 -67.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.0 mt -133.58 -45.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.4 p -92.87 25.11 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.499 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 4.2 p -56.81 -42.02 78.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -107.02 38.53 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.77 -60.09 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 6.9 tpp -57.18 -59.52 4.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.519 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -49.13 -44.15 42.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.064 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.418 ' NE2' ' CD1' ' A' ' 58' ' ' TRP . 5.6 tp60 -60.64 -56.66 18.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -63.03 -26.85 69.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.457 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -66.76 -56.69 9.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 122' ' ' ILE . 11.3 mm -64.68 -43.22 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -53.52 -38.66 63.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.783 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.41 -23.22 62.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.04 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -82.55 -41.5 19.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.423 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 44.1 mtm -72.66 -11.44 60.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.532 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.4 pt-20 -98.5 -24.12 15.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.427 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -111.01 -4.35 15.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 29.8 t70 -115.71 -65.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 134' ' ' PHE . 20.1 m -77.18 -57.44 3.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.613 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 4.6 tp -35.55 -53.85 1.3 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.584 0.707 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.9 Cg_endo -69.77 -26.36 27.59 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 130' ' ' SER . 79.1 mtt180 -90.73 -12.71 35.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.3 t80 -87.84 -30.35 20.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.447 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 28.9 m -71.67 -41.06 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.423 ' N ' HG23 ' A' ' 135' ' ' VAL . 25.9 mtt85 -58.44 -44.88 89.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 59.7 p -60.04 160.06 8.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 139' ' ' PHE . 3.1 tt0 -62.36 -37.69 86.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 138' ' ' GLU . 79.7 m-85 -37.71 -37.49 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.51 ' O ' HD13 ' A' ' 144' ' ' ILE . 62.7 t80 -89.72 -48.78 7.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.691 ' HA ' HD11 ' A' ' 144' ' ' ILE . 84.7 mm-40 -44.8 -30.77 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 4.1 pt-20 -76.49 -32.09 58.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.785 HD13 ' HZ3' ' A' ' 25' ' ' TRP . 69.6 mt -56.07 -31.36 63.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.839 HD13 ' H ' ' A' ' 144' ' ' ILE . 0.2 OUTLIER -109.86 -36.32 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 179.781 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 37.5 t -61.04 -31.67 71.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -51.17 -179.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.451 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 108.42 2.07 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.397 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.1 t -171.72 175.16 4.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 69.0 m -102.18 131.22 48.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 3' ' ' SER . 63.6 p 39.86 42.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.888 0.375 . . . . 0.0 110.86 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 2' ' ' SER . 3.4 t -37.52 -52.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.48 144.64 17.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.543 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.0 p -126.11 133.95 51.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.371 . . . . 0.0 110.813 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -69.99 178.11 2.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.48 87.15 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -179.28 2.79 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.641 2.228 . . . . 0.0 112.35 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -143.43 174.85 10.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.799 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.7 151.6 73.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.709 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 154.73 67.26 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.249 . . . . 0.0 112.378 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' LYS . . . -121.95 -39.66 2.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' ALA . 27.3 pttt -34.47 146.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.5 t -129.2 172.71 11.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -56.15 -178.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -152.5 140.54 20.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.462 HG21 ' CH2' ' A' ' 25' ' ' TRP . 41.2 m -38.55 149.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -104.01 140.62 37.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.5 HD21 ' HB ' ' A' ' 144' ' ' ILE . 0.8 OUTLIER -42.33 -62.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.708 ' HA ' HD12 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -45.08 -28.68 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 24' ' ' GLN . 4.1 tt0 -78.23 -60.52 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.403 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -38.27 -32.49 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.5 mt -73.15 -40.72 64.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 21' ' ' GLU . 52.2 mt-30 -54.17 -21.25 8.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.981 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.462 ' CH2' HG21 ' A' ' 17' ' ' THR . 50.9 m0 -71.62 -23.57 61.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -70.8 -41.75 71.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -48.85 -60.33 2.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.8 m -135.18 149.53 49.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.507 ' HB2' ' CB ' ' A' ' 127' ' ' GLU . 12.9 tp -62.28 -49.34 76.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -41.93 -50.71 4.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HE2' ' OE1' ' A' ' 24' ' ' GLN . 12.2 mttp -46.96 -36.81 8.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 42' ' ' PHE . 47.0 tp -71.42 -66.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 mt -47.22 -48.76 24.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -43.18 -50.83 6.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -72.98 130.36 40.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -55.43 -57.41 12.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -50.58 -57.93 7.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.32 -45.56 74.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.0 tp -58.48 -61.64 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.34 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.76 -50.28 5.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.7 p -64.4 -46.68 82.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.408 ' HB2' HD21 ' A' ' 32' ' ' LEU . 32.5 t80 -51.74 -51.81 53.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.528 ' HG2' HD13 ' A' ' 55' ' ' LEU . 35.5 mtpt -49.62 -62.51 1.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.7 t -42.83 -52.12 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.407 ' HB3' ' O ' ' A' ' 42' ' ' PHE . 55.8 t80 -44.83 -37.47 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.583 HD23 ' HA ' ' A' ' 52' ' ' GLU . 10.6 mp -75.04 -51.36 13.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -40.14 -40.39 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 t -71.19 -42.97 68.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.52 -6.93 55.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 64.15 36.2 9.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -129.77 32.06 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.828 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.583 ' HA ' HD23 ' A' ' 46' ' ' LEU . 20.4 tt0 -68.93 -29.97 68.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.413 ' HB2' ' HB3' ' A' ' 91' ' ' LYS . 4.2 pt-20 -48.28 -37.55 16.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.49 ' O ' HG21 ' A' ' 122' ' ' ILE . 4.3 m-20 -56.99 -37.85 72.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.662 HD22 HD11 ' A' ' 59' ' ' ILE . 1.3 tt -80.68 -44.08 19.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -45.05 -49.31 11.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -54.68 -37.94 66.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -66.73 -60.54 2.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.662 HD11 HD22 ' A' ' 55' ' ' LEU . 23.9 mt -48.49 -48.51 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.84 -46.33 78.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 98.7 m -48.08 -60.02 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -53.31 -42.46 66.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -65.07 -21.3 66.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.537 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.2 t80 -86.42 -28.53 23.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -66.83 -35.21 79.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -81.47 21.86 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.53 HG22 ' HG3' ' A' ' 73' ' ' MET . 22.3 mt -95.76 108.27 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.58 -24.59 21.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -57.98 132.05 83.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.664 0.745 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -29.38 24.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.602 2.201 . . . . 0.0 112.4 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.422 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -84.88 -40.33 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.51 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -66.43 -50.32 63.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.53 ' HG3' HG22 ' A' ' 67' ' ' ILE . 8.3 mtp -43.92 -37.51 2.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.24 -57.93 2.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 4.1 mm-40 -51.8 -59.45 4.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 19.1 tptm -48.76 -43.45 37.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.483 ' HB2' ' HE2' ' A' ' 64' ' ' TYR . . . -49.34 -53.47 22.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.088 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.481 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 8.1 ptmt -57.7 -40.34 79.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.481 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 18.2 mt-30 -52.75 -54.58 31.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.4 mt -56.6 -30.38 31.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.612 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -77.32 -43.78 31.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.934 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.5 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.9 mt-10 -67.13 -8.55 31.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.862 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 19.6 tt0 -106.12 -52.16 2.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -100.35 -54.19 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.56 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.2 mm -79.84 27.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.706 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -106.65 154.55 20.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.469 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 51.5 m -58.43 133.2 55.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 38.26 31.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.862 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -49.84 161.01 0.57 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.7 . . . . 0.0 111.064 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.601 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 52.8 Cg_endo -69.9 -28.8 24.15 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.596 2.197 . . . . 0.0 112.311 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 53' ' ' GLU . 7.5 mtpt -125.18 17.83 8.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.632 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 41.8 tt0 -43.07 98.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.413 HG23 HG12 ' A' ' 95' ' ' ILE . 29.3 m -54.89 -178.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -95.7 97.47 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.44 HG23 HD11 ' A' ' 122' ' ' ILE . 2.5 pt -146.55 111.68 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.17 163.33 0.23 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -51.57 -38.37 54.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.401 ' O ' HG12 ' A' ' 102' ' ' ILE . 12.5 t80 -47.84 -69.68 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.2 m -60.54 -50.51 73.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 104' ' ' MET . 0.1 OUTLIER -44.47 -49.61 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.96 -47.2 81.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.45 ' HA ' ' HD2' ' A' ' 105' ' ' LYS . 36.6 mm -42.64 -67.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.184 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.9 m -39.31 -52.33 2.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.406 ' HG3' ' O ' ' A' ' 100' ' ' LYS . 5.1 mtp -44.08 -53.54 6.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.45 ' HD2' ' HA ' ' A' ' 102' ' ' ILE . 11.2 mttt -63.54 -25.45 68.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -85.33 2.78 42.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.576 HD11 ' CD2' ' A' ' 81' ' ' TYR . 35.1 mt -88.97 -4.74 58.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.0 t -77.26 -56.64 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.495 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 7.1 mt-10 -124.69 51.22 4.64 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.8 Cg_endo -69.75 135.15 29.75 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.726 2.284 . . . . 0.0 112.353 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.488 ' O ' HD23 ' A' ' 112' ' ' LEU . 46.0 m -132.75 -66.9 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 111' ' ' SER . 33.0 mt -134.49 -45.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -91.08 23.11 3.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 p -59.28 -45.97 89.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.458 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 97.9 m-85 -105.46 34.68 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.94 -57.32 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.806 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 2.1 tpp -60.43 -61.99 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.82 -42.28 35.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.047 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 26.9 tt0 -61.04 -56.29 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -63.86 -28.24 69.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.422 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.7 OUTLIER -64.72 -55.27 20.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.49 HG21 ' O ' ' A' ' 54' ' ' ASN . 10.0 mm -65.28 -41.77 92.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.196 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -57.13 -37.57 72.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.64 -18.89 62.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -86.23 -50.06 7.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.456 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 32.8 mtm -65.37 -10.12 30.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.689 ' O ' HD23 ' A' ' 131' ' ' LEU . 5.3 pt-20 -97.53 -24.38 15.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.408 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -111.43 -5.7 14.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 125' ' ' LEU . 10.9 t70 -112.4 -66.66 1.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 133' ' ' ARG . 16.5 m -77.83 -56.87 4.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.689 HD23 ' O ' ' A' ' 127' ' ' GLU . 4.3 tp -34.62 -54.09 0.97 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.671 0.748 . . . . 0.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 54.3 Cg_endo -69.7 -27.64 26.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.691 2.261 . . . . 0.0 112.388 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 130' ' ' SER . 33.3 mtp180 -88.88 -13.0 40.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.83 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 130' ' ' SER . 22.0 t80 -82.79 -42.93 17.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.452 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 31.4 m -59.89 -33.56 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -63.34 -49.19 74.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 80.6 p -53.5 173.41 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 139' ' ' PHE . 2.2 tt0 -71.76 -39.25 70.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 138' ' ' GLU . 98.5 m-85 -35.91 -40.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.597 ' HA ' HD12 ' A' ' 143' ' ' LEU . 54.3 t80 -82.98 -52.88 6.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 145' ' ' SER . 98.6 mm-40 -45.52 -32.81 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -79.81 -28.3 40.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 140' ' ' TYR . 40.7 mt -68.2 -36.32 79.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.5 ' HB ' HD21 ' A' ' 19' ' ' LEU . 27.0 pt -98.05 -42.78 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 1.4 t -80.15 -50.09 10.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 145' ' ' SER . . . 37.32 -146.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.424 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 150.25 67.96 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.275 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 5.7 t 61.73 42.67 10.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 37.5 p -66.42 177.24 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.457 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 p -123.99 84.37 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 m 62.0 43.3 9.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.24 161.46 39.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.458 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 6' ' ' SER . 40.8 m -155.82 175.25 14.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 0.0 110.871 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 5' ' ' SER . 29.0 p 36.12 44.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.819 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' N ' ' HD2' ' A' ' 8' ' ' PRO . . . -73.45 -61.13 3.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HD2' ' N ' ' A' ' 7' ' ' GLY . 53.6 Cg_endo -69.8 170.97 15.37 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' A' ' 10' ' ' LYS . 6.4 tm-20 -139.41 164.33 30.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' O ' ' OE1' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -88.29 130.21 46.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.623 0.725 . . . . 0.0 110.85 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -165.41 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -146.8 179.46 7.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.078 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -138.47 173.68 11.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.0 t -173.11 173.75 3.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -53.66 156.67 2.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.437 ' HD3' ' CE1' ' A' ' 37' ' ' TYR . 42.5 mttm -95.69 -75.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.585 HG21 ' CH2' ' A' ' 25' ' ' TRP . 1.7 m -156.04 143.87 19.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.182 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -106.85 150.33 26.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.4 -60.06 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.686 ' HA ' HD12 ' A' ' 23' ' ' LEU . 84.5 m-20 -55.82 -13.18 1.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 24' ' ' GLN . 12.6 tt0 -87.69 -59.73 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.511 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -40.43 -33.68 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.686 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.1 mt -71.91 -38.2 69.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 21' ' ' GLU . 17.0 mt-30 -54.43 -23.81 17.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.67 ' HZ3' HD13 ' A' ' 143' ' ' LEU . 48.2 m0 -71.76 -23.56 61.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -70.97 -43.05 68.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -59.44 -54.71 43.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 m -134.9 137.91 43.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.633 HD23 ' NE2' ' A' ' 123' ' ' HIS . 9.1 tp -61.31 -42.36 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -39.14 -62.9 0.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.831 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' ASP . 15.0 mmtm -37.72 -44.21 0.7 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.554 HD21 ' HB2' ' A' ' 42' ' ' PHE . 29.2 tp -62.37 -62.67 1.59 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.94 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.599 HD13 ' CE3' ' A' ' 58' ' ' TRP . 90.7 mt -49.88 -44.05 49.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -56.86 -44.99 82.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -73.54 118.66 16.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -51.29 -50.76 58.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.437 ' CE1' ' HD3' ' A' ' 16' ' ' LYS . 3.0 t80 -56.78 -57.73 11.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.19 -45.09 74.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 33' ' ' LEU . 37.6 tp -58.04 -63.6 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.347 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.19 -50.67 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 p -64.72 -45.34 86.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.56 ' O ' HD13 ' A' ' 46' ' ' LEU . 27.1 t80 -52.74 -45.34 66.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -56.17 -62.79 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 t -42.06 -46.24 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 134' ' ' PHE . 43.8 t80 -53.07 -38.14 62.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.661 HD23 ' HA ' ' A' ' 52' ' ' GLU . 10.9 mp -70.79 -50.54 34.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -41.33 -45.59 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -64.2 -39.96 95.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -81.69 -12.34 58.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 70.14 30.47 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.2 m -122.97 28.44 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.661 ' HA ' HD23 ' A' ' 46' ' ' LEU . 11.5 tt0 -66.67 -20.82 66.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.954 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.439 ' CB ' ' HB3' ' A' ' 91' ' ' LYS . 4.0 pt-20 -59.7 -33.06 71.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.55 ' O ' HG21 ' A' ' 122' ' ' ILE . 2.7 m-20 -57.4 -44.58 84.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.636 HD22 ' CD1' ' A' ' 59' ' ' ILE . 1.1 tt -78.67 -48.25 15.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -40.33 -56.15 2.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -50.76 -34.49 27.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.599 ' CE3' HD13 ' A' ' 33' ' ' LEU . 67.5 t90 -70.21 -58.78 3.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.636 ' CD1' HD22 ' A' ' 55' ' ' LEU . 36.4 mt -50.52 -47.38 27.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.55 -42.72 97.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.443 ' HB2' ' NE2' ' A' ' 119' ' ' GLN . 38.1 m -54.97 -51.54 65.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -63.78 -34.5 78.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -71.18 -34.68 71.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.798 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.598 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -67.36 -32.17 72.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 -179.786 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' O ' HD22 ' A' ' 112' ' ' LEU . 33.3 mttt -65.84 -25.17 67.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -73.13 0.6 11.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.849 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.552 HG21 ' HB3' ' A' ' 72' ' ' LYS . 59.3 mt -89.44 138.26 19.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.51 -24.56 6.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -56.67 139.78 75.77 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.705 0.764 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -24.19 30.1 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.698 2.266 . . . . 0.0 112.386 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.59 -54.88 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.552 ' HB3' HG21 ' A' ' 67' ' ' ILE . 3.6 tptm -55.61 -51.84 65.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.438 ' HG3' HG22 ' A' ' 67' ' ' ILE . 11.8 mtp -47.16 -31.18 3.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.832 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.43 -62.72 1.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.21 -58.77 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.818 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 40.3 tptt -44.72 -45.0 9.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.429 ' HB2' ' HE2' ' A' ' 64' ' ' TYR . . . -51.39 -50.6 59.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.499 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 3.6 pttp -57.84 -40.15 79.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.499 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 30.3 mt-30 -52.12 -55.79 18.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 24.8 mt -56.4 -30.12 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.6 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -75.75 -46.71 29.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.499 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.8 mt-10 -65.55 -8.37 19.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.867 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 10.2 tt0 -104.95 -53.35 2.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -100.18 -53.95 3.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.557 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.01 26.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.762 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -106.11 154.0 21.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.506 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 44.2 m -62.69 130.69 46.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 87' ' ' THR . 7.9 pt-20 46.01 27.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.867 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -51.88 162.1 0.83 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.584 0.707 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.618 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.6 Cg_endo -69.77 -29.17 24.23 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.396 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 93' ' ' VAL . 9.6 mtpp -124.54 20.19 8.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.451 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 29.3 tt0 -41.88 91.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.6 HG23 HG12 ' A' ' 95' ' ' ILE . 25.6 m -50.84 175.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -92.24 100.19 12.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.6 HG12 HG23 ' A' ' 93' ' ' VAL . 1.4 pt -148.8 113.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -52.52 162.05 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -50.47 -37.38 38.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -49.64 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.6 m -59.71 -50.07 75.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.083 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.69 -49.59 10.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.41 -47.23 84.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.4 mm -42.39 -66.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.501 ' OG1' ' HB2' ' A' ' 118' ' ' ALA . 99.1 m -40.72 -53.01 2.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.164 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.5 mtp -46.22 -56.59 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.4 mtpp -60.11 -18.82 50.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -92.64 6.53 47.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.484 HD11 ' CD2' ' A' ' 81' ' ' TYR . 37.4 mt -92.04 -1.79 57.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.425 ' C ' ' CD ' ' A' ' 110' ' ' PRO . 15.3 t -79.34 -59.33 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.132 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.523 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 11.1 mt-10 -120.67 49.71 1.67 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.702 0.763 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.75 134.57 28.33 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.65 2.233 . . . . 0.0 112.365 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.447 ' O ' HD23 ' A' ' 112' ' ' LEU . 23.2 t -126.55 -72.61 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 111' ' ' SER . 70.9 mt -133.45 -40.67 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 t -92.81 21.24 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.816 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 p -57.38 -48.04 80.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.458 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 91.0 m-85 -101.86 41.93 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -56.14 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.402 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 2.2 tpp -59.48 -66.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.501 ' HB2' ' OG1' ' A' ' 103' ' ' THR . . . -45.91 -40.44 10.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.458 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 7.7 tt0 -61.32 -56.59 18.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 117' ' ' MET . 2.7 pttp -62.89 -30.96 71.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.492 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -62.8 -52.37 63.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.826 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.569 HG22 ' SD ' ' A' ' 126' ' ' MET . 3.9 mm -66.01 -51.51 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.633 ' NE2' HD23 ' A' ' 29' ' ' LEU . 9.4 t-80 -48.97 -43.34 39.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 128' ' ' LYS . . . -62.37 -22.38 66.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.402 ' HA ' ' HG2' ' A' ' 128' ' ' LYS . 0.2 OUTLIER -86.93 -57.36 3.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.569 ' SD ' HG22 ' A' ' 122' ' ' ILE . 2.3 ptt? -58.85 -9.79 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.799 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.0 pt-20 -96.6 -22.48 17.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 132' ' ' PRO . 23.6 pttt -109.12 -9.47 15.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -111.8 -65.36 1.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 133' ' ' ARG . 16.7 m -73.47 -60.54 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.799 HD23 ' O ' ' A' ' 127' ' ' GLU . 2.5 tp -33.0 -56.63 0.55 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.7 Cg_endo -69.72 -26.84 27.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.65 2.233 . . . . 0.0 112.403 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 130' ' ' SER . 80.8 mtt-85 -87.56 -12.43 45.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.568 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 11.9 t80 -85.2 -39.68 17.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.472 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 36.0 m -59.26 -35.34 57.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -66.51 -36.31 82.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 49.7 p -65.84 142.26 57.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.96 -38.47 4.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -39.62 -36.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.719 ' HA ' HD12 ' A' ' 143' ' ' LEU . 54.5 t80 -86.45 -47.24 9.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 145' ' ' SER . 72.1 mm-40 -48.85 -34.75 13.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -77.54 -24.59 49.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 140' ' ' TYR . 48.9 mt -70.96 -32.43 69.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.511 HG22 ' HB3' ' A' ' 22' ' ' ALA . 23.9 pt -102.31 -40.96 7.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 23.0 t -65.35 -37.17 86.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -45.85 172.4 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 93.0 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.768 2.312 . . . . 0.0 112.317 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 34.8 t -174.39 114.47 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.4 p -110.19 178.17 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -144.88 114.34 7.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -121.41 171.39 8.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.03 -164.57 15.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.539 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 p -121.8 102.89 8.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.805 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 m -87.75 99.85 12.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.825 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.88 176.07 39.03 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.396 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 9' ' ' GLU . 53.5 Cg_endo -69.8 -175.2 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.727 2.284 . . . . 0.0 112.311 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.424 ' CD ' ' H ' ' A' ' 9' ' ' GLU . 16.6 mp0 -36.93 123.9 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.76 137.02 44.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.5 0.667 . . . . 0.0 110.985 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 170.74 15.9 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.22 77.76 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.068 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.79 -176.6 4.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.6 p -103.57 178.44 4.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.079 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.467 ' NE2' HD21 ' A' ' 36' ' ' ASN . 1.4 pp0? -161.99 177.22 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.419 ' HG2' ' C ' ' A' ' 15' ' ' GLN . 1.4 mmmp? -146.29 173.89 11.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.473 HG21 ' CH2' ' A' ' 25' ' ' TRP . 96.4 m -109.96 140.46 43.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -100.6 145.67 28.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -44.08 -63.09 0.94 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.637 ' HA ' HD12 ' A' ' 23' ' ' LEU . 3.7 t70 -44.57 -24.18 0.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 24' ' ' GLN . 7.0 tt0 -82.01 -60.19 2.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.425 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -39.0 -34.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.7 mt -71.56 -38.95 70.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 21' ' ' GLU . 21.5 mt-30 -56.08 -23.28 32.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.511 ' CD1' ' HA ' ' A' ' 32' ' ' LEU . 48.5 m0 -69.62 -15.59 63.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.449 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 15.9 mtp-105 -80.5 -31.64 37.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -62.84 -58.89 5.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 t -135.66 127.13 28.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.42 HD11 ' CE2' ' A' ' 42' ' ' PHE . 4.2 tp -51.91 -30.97 26.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -54.27 -52.83 60.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.877 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HE2' ' O ' ' A' ' 24' ' ' GLN . 9.0 mtmm -52.75 -27.58 18.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.511 ' HA ' ' CD1' ' A' ' 25' ' ' TRP . 26.3 tp -78.34 -50.41 11.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.8 mt -60.26 -42.52 95.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -54.56 -45.84 73.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -71.94 117.76 13.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.467 HD21 ' NE2' ' A' ' 15' ' ' GLN . 3.4 p-10 -47.54 -54.12 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.446 ' CE2' ' CD2' ' A' ' 143' ' ' LEU . 2.4 t80 -51.77 -60.59 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -52.93 -50.51 50.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.489 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.0 tp -54.16 -62.14 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -40.18 -59.85 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.0 p -59.98 -41.2 91.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 29' ' ' LEU . 23.6 t80 -55.77 -46.55 77.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.789 ' HG2' HD13 ' A' ' 55' ' ' LEU . 38.7 mtpt -55.01 -66.19 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' LYS . 11.9 t -38.13 -53.94 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -41.95 -45.74 3.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.817 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' GLU . 89.1 mt -63.28 -56.31 17.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.422 ' HG2' ' CD ' ' A' ' 52' ' ' GLU . 29.4 mtmt -39.6 -40.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.954 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -70.35 -39.24 74.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' LEU . 15.0 mm-40 -85.55 2.61 44.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 63.32 30.38 15.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.408 ' C ' ' HB3' ' A' ' 46' ' ' LEU . 19.8 m -124.91 30.29 5.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.786 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.422 ' CD ' ' HG2' ' A' ' 47' ' ' LYS . 2.8 tt0 -71.76 -22.2 61.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -61.64 -36.23 80.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -52.2 -51.24 59.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.789 HD13 ' HG2' ' A' ' 43' ' ' LYS . 1.2 tt -66.73 -43.48 84.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -45.07 -58.4 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.444 ' CB ' HG11 ' A' ' 93' ' ' VAL . 36.2 t80 -48.3 -37.98 17.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -66.39 -60.43 2.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.695 HD11 HD22 ' A' ' 55' ' ' LEU . 38.2 mt -46.54 -43.73 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.56 92.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 62.1 m -48.4 -56.59 7.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -59.76 -40.3 87.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -66.15 -19.04 65.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.478 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 2.3 t80 -86.44 -34.4 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -60.57 -33.21 72.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -81.6 16.69 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.559 HG22 ' HG3' ' A' ' 73' ' ' MET . 35.1 mt -97.85 112.33 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.11 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.78 -34.58 11.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 m -41.62 133.7 2.19 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.626 0.727 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -24.72 29.32 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.675 2.25 . . . . 0.0 112.369 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -94.3 -34.78 12.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.065 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.477 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 2.9 tptt -70.57 -46.66 63.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.559 ' HG3' HG22 ' A' ' 67' ' ' ILE . 13.3 mtp -49.92 -37.02 29.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.47 -56.51 3.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 17.8 mm-40 -52.99 -52.92 56.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.472 ' HG2' ' CD1' ' A' ' 67' ' ' ILE . 26.8 tptp -53.3 -45.47 68.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.75 -52.2 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -35.54 77.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -59.53 -48.82 80.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.429 ' CG1' ' HZ3' ' A' ' 76' ' ' LYS . 52.7 mt -64.61 -32.2 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.072 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.627 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -74.55 -43.33 56.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.526 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 8.5 mm-40 -66.18 -8.6 25.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.85 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 16.2 tt0 -106.36 -52.38 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 92' ' ' GLU . 60.6 m-85 -101.07 -55.14 2.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.742 HG22 ' HE2' ' A' ' 100' ' ' LYS . 1.2 mm -78.98 28.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.661 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.87 151.22 24.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.884 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.515 HG22 ' HG3' ' A' ' 88' ' ' GLU . 30.7 m -60.45 123.28 16.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.515 ' HG3' HG22 ' A' ' 87' ' ' THR . 28.0 mt-10 51.99 27.9 4.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.85 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -51.08 161.94 0.66 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.529 0.681 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.628 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 52.9 Cg_endo -69.77 -31.4 20.57 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.668 2.245 . . . . 0.0 112.3 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -123.57 19.03 9.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.973 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.659 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 7.9 tt0 -44.23 99.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.444 HG11 ' CB ' ' A' ' 57' ' ' PHE . 27.7 m -53.22 179.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.157 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -94.3 99.41 11.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.3 pt -145.54 111.31 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -48.63 157.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -47.28 -42.64 21.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.408 ' O ' HG12 ' A' ' 102' ' ' ILE . 15.6 t80 -47.72 -63.22 1.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.4 m -65.79 -54.14 31.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.742 ' HE2' HG22 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -43.24 -42.38 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.68 -44.49 86.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 98' ' ' PHE . 19.3 mm -42.95 -64.2 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 99.2 m -42.02 -53.71 3.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.1 mtp -48.74 -55.51 11.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -61.25 -12.34 12.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -102.15 7.04 41.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.591 HD11 ' CD2' ' A' ' 81' ' ' TYR . 64.2 mt -91.33 2.64 56.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.474 HG13 ' HG2' ' A' ' 109' ' ' GLU . 1.4 p -84.41 -42.76 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.543 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 0.2 OUTLIER -134.84 48.25 2.87 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.567 0.699 . . . . 0.0 110.86 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.0 Cg_endo -69.65 126.4 13.34 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -123.05 -67.84 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.9 mt -133.71 -43.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.7 m -87.82 19.61 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.405 ' HB2' ' CD1' ' A' ' 115' ' ' PHE . 4.3 m -47.18 -57.93 4.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.411 ' O ' ' CB ' ' A' ' 119' ' ' GLN . 13.1 m-85 -101.96 40.61 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.815 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -64.65 -42.07 95.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 6.5 tpp -76.28 -57.26 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.97 -41.11 64.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.029 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.411 ' CB ' ' O ' ' A' ' 115' ' ' PHE . 40.1 tt0 -61.64 -54.18 46.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.937 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -65.2 -31.1 72.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.509 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -64.14 -57.06 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.428 ' HA ' HD13 ' A' ' 122' ' ' ILE . 7.5 mm -62.33 -43.81 98.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -56.73 -37.65 71.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.37 -21.58 62.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.409 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -83.01 -42.41 17.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 46.2 mtm -71.81 -10.61 60.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.816 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.834 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.4 pt-20 -98.78 -24.75 14.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.45 -4.71 15.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 44.7 t0 -116.17 -65.29 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 134' ' ' PHE . 16.7 m -76.55 -56.83 4.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.834 HD23 ' O ' ' A' ' 127' ' ' GLU . 6.8 tp -35.27 -54.58 1.13 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.647 0.737 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 54.0 Cg_endo -69.71 -25.82 28.44 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.62 2.213 . . . . 0.0 112.363 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 130' ' ' SER . 47.7 mtt180 -91.36 -12.5 34.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 130' ' ' SER . 29.3 t80 -85.45 -35.12 21.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.472 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 18.2 m -68.64 -32.36 54.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -67.5 -40.02 85.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.776 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 59.6 p -62.14 176.23 0.61 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 140' ' ' TYR . 1.6 tt0 -72.34 -42.74 65.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 138' ' ' GLU . 95.3 m-85 -35.3 -35.96 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.689 ' HA ' HD12 ' A' ' 143' ' ' LEU . 55.2 t80 -86.31 -49.14 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -48.99 -32.82 9.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -77.62 -25.27 49.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 140' ' ' TYR . 41.4 mt -74.46 -37.73 63.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.589 HD13 ' CE2' ' A' ' 140' ' ' TYR . 34.1 pt -99.25 -42.72 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.049 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.497 ' N ' HG13 ' A' ' 144' ' ' ILE . 1.5 m -105.02 37.31 2.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -67.2 -146.54 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 84.05 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 38.5 m -57.84 160.39 4.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.8 p -175.03 140.08 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -84.41 -51.62 6.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.7 t -113.84 134.98 54.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.793 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.39 -166.57 24.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 m -159.47 116.99 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -168.81 151.18 4.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.821 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.45 111.76 0.51 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -172.44 0.57 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.712 2.275 . . . . 0.0 112.385 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -88.36 -177.81 5.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -121.71 154.29 60.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.665 0.745 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 -171.01 0.43 Allowed 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.625 2.217 . . . . 0.0 112.419 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.46 125.12 50.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 14' ' ' THR . 11.3 tptt -173.95 165.21 4.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.464 ' C ' ' O ' ' A' ' 13' ' ' LYS . 10.7 t -32.78 143.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -128.89 -42.14 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -127.81 -73.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.509 HG21 ' CH2' ' A' ' 25' ' ' TRP . 1.1 m -143.4 150.36 38.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -117.91 158.58 24.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -48.92 -60.18 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.585 ' HA ' HD12 ' A' ' 23' ' ' LEU . 7.9 t70 -56.0 -13.89 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 24' ' ' GLN . 8.5 tp10 -89.6 -57.76 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.46 -32.68 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.9 mt -73.71 -39.81 64.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' GLU . 14.4 mt-30 -55.2 -21.14 12.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.51 ' CE3' ' CD1' ' A' ' 32' ' ' LEU . 52.8 m0 -71.21 -23.23 61.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 12.6 mtp-105 -73.79 -35.36 64.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -55.64 -57.1 13.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.7 t -135.22 132.58 38.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.5 tp -52.21 -35.98 50.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.6 -60.51 3.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -39.19 -34.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.51 ' CD1' ' CE3' ' A' ' 25' ' ' TRP . 30.9 tp -72.64 -64.87 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.2 mt -48.95 -47.47 43.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -50.11 -47.3 54.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -72.83 127.29 32.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -56.77 -50.99 70.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.57 ' CE2' HD23 ' A' ' 143' ' ' LEU . 2.4 t80 -53.5 -57.62 10.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.415 ' CA ' ' CH2' ' A' ' 25' ' ' TRP . . . -59.18 -42.11 97.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.43 -61.97 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.07 -49.54 6.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.046 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.8 m -68.31 -44.48 75.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -53.45 -40.98 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.651 ' HG2' HD13 ' A' ' 55' ' ' LEU . 37.6 mtpt -62.94 -64.65 0.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.842 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.6 t -43.45 -38.03 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.801 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.495 ' CD2' HD12 ' A' ' 46' ' ' LEU . 26.2 t80 -58.59 -41.17 85.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.829 HD23 ' HA ' ' A' ' 52' ' ' GLU . 7.3 mp -68.32 -49.81 57.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.436 ' HG3' ' CD ' ' A' ' 52' ' ' GLU . 36.0 mtpt -39.81 -40.73 1.01 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.892 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.1 t -67.19 -42.8 83.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 46' ' ' LEU . 5.2 mm-40 -82.04 -3.92 55.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 62.23 30.48 17.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.7 m -122.34 30.25 6.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.829 ' HA ' HD23 ' A' ' 46' ' ' LEU . 13.4 tt0 -74.51 -22.5 59.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 91' ' ' LYS . 3.9 pt-20 -53.08 -37.37 61.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.426 ' O ' HG21 ' A' ' 122' ' ' ILE . 2.0 m-20 -57.65 -39.46 77.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.666 HD22 HD11 ' A' ' 59' ' ' ILE . 1.4 tt -73.52 -50.14 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -40.93 -53.32 2.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -50.73 -37.93 44.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 55.7 t90 -67.31 -60.09 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.666 HD11 HD22 ' A' ' 55' ' ' LEU . 22.9 mt -47.28 -45.33 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.81 -44.65 95.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.064 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 63.3 m -47.76 -56.88 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.816 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -56.8 -47.23 80.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.81 -21.36 60.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.512 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.5 t80 -83.77 -32.85 25.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.967 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -67.06 -34.92 78.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.8 24.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.502 ' CG2' ' HB3' ' A' ' 72' ' ' LYS . 34.3 mt -91.05 98.01 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.83 22.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -109.06 130.05 23.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.665 0.745 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -14.49 36.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.732 2.288 . . . . 0.0 112.328 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.0 -48.61 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.042 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.502 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -60.67 -42.4 97.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.452 ' HG3' ' CG2' ' A' ' 67' ' ' ILE . 5.1 mtp -49.4 -39.8 33.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -89.33 -57.84 2.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -49.85 -59.58 3.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.429 ' HB2' ' HG3' ' A' ' 72' ' ' LYS . 27.7 tptt -47.58 -49.78 25.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -39.72 -50.47 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 0.1 OUTLIER -62.96 -35.76 81.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 76' ' ' LYS . 49.8 mt-30 -57.93 -54.34 48.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.3 mt -58.62 -28.91 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.683 ' CD2' HD11 ' A' ' 107' ' ' LEU . 0.5 OUTLIER -77.24 -46.63 22.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.497 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 14.7 mm-40 -65.94 -8.39 22.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.906 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 12.8 tt0 -104.83 -52.69 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -100.84 -53.44 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.545 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -79.29 26.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.547 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.51 149.24 26.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.473 HG22 ' HG3' ' A' ' 88' ' ' GLU . 81.4 m -57.07 129.84 43.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.473 ' HG3' HG22 ' A' ' 87' ' ' THR . 9.9 mt-10 46.09 32.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.906 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -53.38 159.9 2.04 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.646 0.736 . . . . 0.0 111.08 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.0 Cg_endo -69.82 -31.56 20.03 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 53' ' ' GLU . 8.3 mtpp -123.39 17.37 9.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.755 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 35.1 tt0 -42.19 101.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.4 m -58.93 177.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -91.44 100.6 13.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.51 112.91 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.55 164.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -52.05 -35.61 47.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -51.61 -70.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 29.3 m -59.15 -49.36 78.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.47 -51.92 14.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -56.96 -47.63 80.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.3 mm -42.82 -65.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.2 m -40.79 -55.16 2.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.177 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mtp -44.53 -56.84 3.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.864 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.9 mtpp -59.99 -21.02 60.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -91.11 5.0 50.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.683 HD11 ' CD2' ' A' ' 81' ' ' TYR . 61.5 mt -90.49 -2.64 57.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.0 t -76.88 -57.99 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 1.7 pt-20 -124.93 51.02 4.6 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.623 0.725 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 52.8 Cg_endo -69.78 128.3 15.81 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.703 2.268 . . . . 0.0 112.321 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.8 m -123.51 -65.87 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 112' ' ' LEU . 12.1 mt -134.73 -45.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 91.4 p -88.03 21.64 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 6.4 p -55.73 -44.04 77.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -111.31 37.07 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.04 -41.58 95.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.417 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 4.1 tpp -77.23 -58.29 3.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.04 -41.02 33.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -63.01 -57.81 9.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 117' ' ' MET . 3.7 pttp -60.4 -31.35 70.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.433 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.2 OUTLIER -63.43 -53.44 52.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.426 HG21 ' O ' ' A' ' 54' ' ' ASN . 7.1 mm -68.22 -49.56 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -50.19 -40.11 46.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' A' ' 128' ' ' LYS . . . -69.46 -27.43 65.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.043 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -80.45 -30.14 37.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 64.7 mtm -80.81 -9.24 59.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.647 ' O ' HD23 ' A' ' 131' ' ' LEU . 2.8 pt-20 -97.91 -24.6 15.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 124' ' ' ALA . 3.0 pttp -110.93 -6.94 14.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 7.0 t70 -112.38 -65.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 133' ' ' ARG . 16.1 m -76.91 -58.34 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 127' ' ' GLU . 3.9 tp -34.06 -54.65 0.83 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.626 0.726 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.6 Cg_endo -69.78 -27.98 25.69 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.762 2.308 . . . . 0.0 112.31 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 130' ' ' SER . 71.4 mtt-85 -86.92 -13.55 44.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.467 ' N ' ' O ' ' A' ' 130' ' ' SER . 17.4 t80 -84.34 -51.35 7.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.456 ' HA ' ' CB ' ' A' ' 140' ' ' TYR . 34.4 m -53.26 -25.6 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -70.59 -45.01 66.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 23.6 p -61.94 141.22 58.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.77 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 138' ' ' GLU . 0.2 OUTLIER -42.96 -36.94 1.71 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.91 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 138' ' ' GLU . 88.4 m-85 -37.28 -38.95 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.769 ' HA ' HD12 ' A' ' 143' ' ' LEU . 70.8 t80 -85.11 -48.23 9.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 145' ' ' SER . 99.0 mm-40 -50.27 -31.92 15.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -77.23 -28.4 53.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.769 HD12 ' HA ' ' A' ' 140' ' ' TYR . 23.6 mt -66.76 -34.29 77.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.471 HG13 ' N ' ' A' ' 145' ' ' SER . 29.4 pt -99.87 -40.6 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 19.7 t -67.38 -25.43 65.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -57.76 -153.47 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.505 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 88.41 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.719 2.279 . . . . 0.0 112.372 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 42.2 t -78.09 -61.15 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.897 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 150' ' ' GLY . 33.4 p -123.72 -39.63 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 149' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.562 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -77.03 89.6 3.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 m -40.66 -48.21 2.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.61 95.38 0.82 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.46 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t 68.21 41.71 1.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.353 . . . . 0.0 110.827 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 m -112.51 158.69 19.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' HA2' ' HD2' ' A' ' 8' ' ' PRO . . . 148.27 94.89 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD2' ' HA2' ' A' ' 7' ' ' GLY . 53.8 Cg_endo -69.75 -173.51 0.73 Allowed 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.685 2.257 . . . . 0.0 112.325 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -57.84 152.48 15.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -100.07 135.3 20.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.552 0.691 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.9 -174.05 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.61 2.207 . . . . 0.0 112.349 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -158.63 170.08 22.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -145.46 177.55 8.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.4 t -110.3 170.02 8.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -76.35 177.22 7.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -129.14 169.85 14.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.511 HG21 ' CH2' ' A' ' 25' ' ' TRP . 24.9 m -80.53 153.02 28.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -104.42 152.04 22.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -51.43 -52.27 47.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.974 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.667 ' HA ' HD12 ' A' ' 23' ' ' LEU . 8.7 m-20 -60.8 -17.47 49.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 24' ' ' GLN . 9.3 tt0 -85.09 -58.35 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.53 -35.55 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.092 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.667 HD12 ' HA ' ' A' ' 20' ' ' ASP . 2.0 mt -70.56 -37.35 73.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' GLU . 30.8 mt-30 -56.37 -23.46 37.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.511 ' CH2' HG21 ' A' ' 17' ' ' THR . 48.2 m0 -70.62 -16.57 62.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 11.4 mtp-105 -78.83 -37.72 39.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -54.12 -58.3 7.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.0 m -135.47 132.14 37.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.8 tp -49.43 -42.11 41.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -45.84 -62.98 1.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.792 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 30' ' ' ASP . 4.2 mtpm? -36.25 -35.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.484 HD13 ' HB3' ' A' ' 25' ' ' TRP . 27.7 tp -74.16 -60.72 2.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.589 HD13 ' CE3' ' A' ' 58' ' ' TRP . 65.6 mt -51.22 -46.59 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -52.8 -45.88 67.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -71.76 125.38 27.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -55.79 -48.13 75.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -58.69 -57.94 10.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.87 -39.35 91.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.499 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.2 tp -64.14 -63.37 1.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 110.952 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.27 -51.92 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.2 m -67.14 -44.51 79.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.459 ' CE2' HD21 ' A' ' 33' ' ' LEU . 30.6 t80 -52.4 -46.83 66.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.607 ' HG2' HD13 ' A' ' 55' ' ' LEU . 36.4 mtpt -54.23 -64.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.3 t -39.46 -52.66 2.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.532 ' CD2' HD12 ' A' ' 46' ' ' LEU . 10.7 t80 -44.03 -40.2 4.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.532 HD12 ' CD2' ' A' ' 45' ' ' PHE . 10.1 mp -75.23 -50.96 14.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -40.62 -41.83 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.0 t -69.33 -39.65 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 46' ' ' LEU . 5.0 mm-40 -79.44 -9.19 59.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 68.86 31.53 4.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.9 m -127.54 31.36 5.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.785 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.463 ' HA ' HD23 ' A' ' 46' ' ' LEU . 10.2 tt0 -74.06 -23.55 59.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.476 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 8.6 pm0 -52.58 -35.65 54.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.476 ' N ' ' HG2' ' A' ' 53' ' ' GLU . 12.9 m-20 -57.04 -41.62 78.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.681 HD22 ' CD1' ' A' ' 59' ' ' ILE . 1.1 tt -72.9 -44.01 61.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.958 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -45.99 -53.3 10.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.544 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 23.1 t80 -52.0 -32.29 33.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.589 ' CE3' HD13 ' A' ' 33' ' ' LEU . 33.3 t90 -73.62 -61.33 1.87 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.681 ' CD1' HD22 ' A' ' 55' ' ' LEU . 31.9 mt -48.37 -45.63 13.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.05 -52.2 66.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.059 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 57.2 m -44.9 -61.1 1.74 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -51.88 -43.1 63.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' A' ' 66' ' ' LYS . 7.3 t70 -64.14 -22.95 67.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.814 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.586 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -83.88 -21.67 31.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.81 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -66.88 -34.59 78.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 63' ' ' ASP . 12.3 ptpt -82.8 25.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.547 HG22 ' HG3' ' A' ' 73' ' ' MET . 29.1 mt -102.17 108.46 23.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.03 -32.69 13.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 m -45.39 133.24 5.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.657 0.742 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -21.9 32.74 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.665 2.244 . . . . 0.0 112.352 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.501 ' O ' ' CG ' ' A' ' 75' ' ' GLU . . . -95.23 -35.94 11.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.483 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -70.83 -46.94 61.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.547 ' HG3' HG22 ' A' ' 67' ' ' ILE . 8.9 mtp -48.28 -38.28 18.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.7 -54.82 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.111 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 12.3 mm-40 -52.98 -55.94 19.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 17.4 tptm -54.33 -42.66 70.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.78 -50.28 45.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.56 -35.88 81.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -56.45 -49.68 73.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.2 mt -63.58 -30.81 50.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.638 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -76.45 -38.91 54.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 16.3 mm-40 -72.59 -11.04 60.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.598 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 17.9 tt0 -106.11 -39.91 5.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.412 ' C ' ' H ' ' A' ' 86' ' ' GLN . 79.2 m-85 -110.94 -57.73 2.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.564 ' HB ' ' CD2' ' A' ' 81' ' ' TYR . 1.3 mm -77.88 28.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.571 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -108.27 153.41 23.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.974 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.513 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 23.4 m -60.11 132.06 52.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.11 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.479 ' HG2' HG22 ' A' ' 87' ' ' THR . 18.5 pt-20 44.2 27.47 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.598 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -48.32 157.14 0.71 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.465 0.65 . . . . 0.0 111.164 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.0 Cg_endo -69.75 -26.14 27.91 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.743 2.295 . . . . 0.0 112.305 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -124.36 17.19 9.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.421 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 2.7 tp10 -38.95 127.16 1.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.452 HG23 HG12 ' A' ' 95' ' ' ILE . 16.1 m -89.79 173.05 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -85.89 98.52 10.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.452 HG12 HG23 ' A' ' 93' ' ' VAL . 1.7 pt -150.43 111.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -52.35 161.38 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -50.03 -36.28 28.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -50.94 -66.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 51.3 m -64.09 -48.53 75.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.09 -48.55 22.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.936 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -57.83 -45.59 85.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 31.0 mm -43.01 -66.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 97.0 m -40.25 -55.27 2.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.5 mtp -44.56 -57.89 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -59.54 -21.41 60.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -90.56 5.89 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.524 HD11 ' CD2' ' A' ' 81' ' ' TYR . 42.1 mt -91.58 -2.14 57.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.4 t -77.98 -58.32 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.513 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 7.1 mt-10 -123.26 50.45 3.1 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.671 0.748 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 53.9 Cg_endo -69.75 139.67 40.84 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.72 2.28 . . . . 0.0 112.371 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.0 m -133.67 -69.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.4 mt -133.02 -44.99 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.7 p -86.28 18.75 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.0 m -48.49 -53.67 17.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -102.61 40.12 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.51 -40.26 92.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 8.0 tpp -78.37 -59.04 2.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.544 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -50.05 -39.57 42.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.064 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.436 ' NE2' ' CD1' ' A' ' 58' ' ' TRP . 7.2 tp60 -62.83 -56.82 14.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -63.0 -29.78 71.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.481 ' C ' ' CD ' ' A' ' 121' ' ' ARG . 0.0 OUTLIER -64.3 -56.15 16.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 122' ' ' ILE . 11.4 mm -65.62 -41.78 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -55.8 -38.31 69.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 127' ' ' GLU . . . -69.97 -19.38 63.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -86.22 -53.68 4.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.455 ' SD ' ' C ' ' A' ' 54' ' ' ASN . 29.9 mtm -61.03 -10.41 5.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.814 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.581 ' O ' HD23 ' A' ' 131' ' ' LEU . 4.8 pt-20 -97.67 -23.9 15.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.434 ' C ' ' HG3' ' A' ' 132' ' ' PRO . 0.0 OUTLIER -111.86 -4.66 14.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 125' ' ' LEU . 4.6 t0 -114.07 -65.75 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 133' ' ' ARG . 8.8 p -78.72 -55.55 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.619 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 5.6 tp -36.72 -53.23 1.86 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.615 0.721 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 131' ' ' LEU . 53.8 Cg_endo -69.68 -25.34 29.06 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.39 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 130' ' ' SER . 14.1 mmt180 -91.29 -13.26 32.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.468 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 23.1 t80 -84.1 -41.55 17.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.501 ' HA ' ' CG ' ' A' ' 140' ' ' TYR . 29.3 m -60.52 -37.68 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -64.74 -46.68 81.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 17.4 p -58.27 139.29 55.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 139' ' ' PHE . 3.6 mt-10 -42.19 -38.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 138' ' ' GLU . 95.7 m-85 -37.01 -36.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.792 ' HA ' HD12 ' A' ' 143' ' ' LEU . 48.4 t80 -90.39 -42.87 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.442 ' O ' ' CB ' ' A' ' 145' ' ' SER . 77.1 mm-40 -51.76 -33.08 33.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -75.58 -23.86 56.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.792 HD12 ' HA ' ' A' ' 140' ' ' TYR . 38.3 mt -71.85 -35.36 69.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.455 HG13 ' N ' ' A' ' 145' ' ' SER . 25.6 pt -98.54 -41.79 10.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.455 ' N ' HG13 ' A' ' 144' ' ' ILE . 31.1 p -65.88 -41.18 91.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -43.9 168.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 85.69 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.7 2.267 . . . . 0.0 112.371 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 49.5 m -132.41 -58.95 0.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.4 t -173.81 164.3 4.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.472 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.398 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 t -165.92 165.22 18.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 0.0 110.834 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -146.04 175.98 10.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.92 -156.47 18.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m 55.09 43.28 29.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.889 0.375 . . . . 0.0 110.951 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 m -121.05 155.47 34.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.92 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.24 118.39 2.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -7.03 20.02 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.757 2.305 . . . . 0.0 112.32 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -61.69 103.45 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -140.85 134.49 14.89 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.624 0.726 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -170.72 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.644 2.229 . . . . 0.0 112.343 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.85 151.46 20.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -169.41 175.77 5.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 t -142.55 137.84 30.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.98 -179.98 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -149.35 177.58 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.8 HG21 ' CH2' ' A' ' 25' ' ' TRP . 87.2 m -125.02 136.26 53.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -100.99 161.48 13.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.89 -63.0 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.605 ' HA ' HD12 ' A' ' 23' ' ' LEU . 3.3 t70 -52.66 -16.14 0.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 24' ' ' GLN . 3.1 tp10 -85.89 -57.15 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.428 ' HB3' HG22 ' A' ' 144' ' ' ILE . . . -40.33 -33.88 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' ' 20' ' ' ASP . 1.9 mt -72.58 -39.82 67.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 21' ' ' GLU . 17.0 mt-30 -56.13 -19.44 13.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.8 ' CH2' HG21 ' A' ' 17' ' ' THR . 49.6 m0 -73.03 -21.16 60.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.524 ' HG2' HG11 ' A' ' 135' ' ' VAL . 74.4 mtp180 -78.92 -34.33 44.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.82 -56.02 27.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 t -134.83 127.22 30.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.849 HD21 ' SD ' ' A' ' 126' ' ' MET . 6.3 tp -51.98 -34.43 42.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -56.81 -42.83 80.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -57.6 -27.97 63.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.465 HD13 ' HB3' ' A' ' 25' ' ' TRP . 24.0 tp -80.1 -53.23 6.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.9 mt -56.76 -52.53 64.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.485 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 3.6 pt20 -45.8 -28.28 1.03 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.485 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 5.2 m120 -91.24 127.91 36.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -45.85 92.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -59.49 -58.81 6.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.41 -37.95 89.31 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' ALA . 49.6 tp -62.37 -64.75 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -37.74 -57.75 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.3 t -59.35 -42.94 92.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.811 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -52.99 -38.59 62.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.598 ' HG2' HD13 ' A' ' 55' ' ' LEU . 36.3 mtpt -69.78 -63.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.9 t -44.08 -37.96 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CE2' ' OE2' ' A' ' 49' ' ' GLU . 23.7 t80 -61.65 -47.83 83.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.925 HD23 ' OE2' ' A' ' 49' ' ' GLU . 34.3 mt -55.54 -39.71 70.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -53.49 -36.34 61.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m -68.42 -38.63 81.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.925 ' OE2' HD23 ' A' ' 46' ' ' LEU . 2.5 pt-20 -90.5 -5.92 55.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 68.02 25.7 7.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -111.16 25.64 11.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.508 ' HA ' HD13 ' A' ' 46' ' ' LEU . 2.7 tt0 -72.04 -14.56 61.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.412 ' O ' HG12 ' A' ' 93' ' ' VAL . 3.6 pt-20 -68.5 -29.12 67.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.59 ' O ' HG21 ' A' ' 122' ' ' ILE . 6.7 m-20 -65.82 -47.82 73.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.598 HD13 ' HG2' ' A' ' 43' ' ' LYS . 0.8 OUTLIER -65.51 -49.42 69.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -38.89 -59.13 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.68 ' CE2' ' HB1' ' A' ' 118' ' ' ALA . 15.7 t80 -44.76 -37.87 4.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 48.1 t90 -68.83 -67.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.579 ' CD1' HD22 ' A' ' 55' ' ' LEU . 33.7 mt -39.53 -47.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.01 -50.8 72.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 55.7 m -43.52 -53.57 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.75 -46.42 87.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -61.03 -20.88 63.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.586 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -86.38 -30.69 21.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.86 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -67.29 -30.4 70.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -82.75 19.45 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.499 HG22 ' HG3' ' A' ' 73' ' ' MET . 43.2 mt -93.74 105.82 17.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -84.0 -25.13 30.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.406 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 2.1 m -62.52 139.26 96.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -46.02 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.76 -60.6 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.477 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -44.39 -57.33 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.499 ' HG3' HG22 ' A' ' 67' ' ' ILE . 12.9 mtp -39.53 -36.01 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 77' ' ' ALA . . . -90.8 -61.44 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.091 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -50.45 -56.68 10.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 41.0 tptt -50.68 -44.5 57.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.548 ' HB2' ' HE2' ' A' ' 64' ' ' TYR . . . -48.53 -50.43 31.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.053 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.497 ' HG2' ' N ' ' A' ' 79' ' ' GLN . 4.7 pttp -60.35 -38.84 85.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.497 ' N ' ' HG2' ' A' ' 78' ' ' LYS . 12.8 mt-30 -53.27 -54.81 30.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.2 mt -57.5 -25.88 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.606 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -80.25 -45.38 18.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.486 ' HA ' ' HB2' ' A' ' 86' ' ' GLN . 11.0 mt-10 -66.71 -8.26 26.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.898 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 12.8 tt0 -104.98 -52.88 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -100.51 -53.62 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.549 ' HB ' ' CG ' ' A' ' 81' ' ' TYR . 1.3 mm -78.9 25.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.621 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -105.53 153.8 21.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.513 HG22 ' HG2' ' A' ' 88' ' ' GLU . 22.9 m -58.24 135.49 57.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.513 ' HG2' HG22 ' A' ' 87' ' ' THR . 19.6 pt-20 38.53 31.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.898 ' HB1' ' O ' ' A' ' 83' ' ' GLU . . . -51.62 160.74 0.97 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.672 0.749 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.589 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 53.5 Cg_endo -69.78 -32.94 17.48 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -121.37 13.32 11.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.823 ' HB2' ' HB3' ' A' ' 89' ' ' ALA . 32.7 tt0 -39.51 99.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.467 HG23 HG12 ' A' ' 95' ' ' ILE . 27.3 m -57.81 -179.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -95.49 100.02 11.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.467 HG12 HG23 ' A' ' 93' ' ' VAL . 0.9 OUTLIER -144.28 114.25 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -51.79 161.5 0.53 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -50.29 -38.24 40.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.805 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -49.76 -68.74 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.438 HG21 ' HG3' ' A' ' 121' ' ' ARG . 71.4 m -60.12 -51.34 70.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.77 -50.58 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.33 -49.26 77.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 22.2 mm -41.84 -62.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 95.1 m -43.44 -52.35 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.0 mtp -48.16 -55.28 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -61.36 -20.28 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -91.55 6.65 44.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.482 HD11 ' CD2' ' A' ' 81' ' ' TYR . 36.9 mt -92.76 -2.68 55.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.1 t -77.78 -58.31 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 110' ' ' PRO . 4.4 mm-40 -123.26 50.94 3.38 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.735 0.779 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 109' ' ' GLU . 54.1 Cg_endo -69.71 136.62 33.59 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.3 t -130.81 -67.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.3 mt -134.13 -44.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.6 p -87.83 20.43 3.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.2 p -57.42 -36.88 71.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -116.42 37.55 3.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -69.64 -44.14 71.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 4.3 tpp -72.8 -58.71 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.68 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -50.73 -45.31 58.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -58.07 -57.18 13.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -27.84 69.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.438 ' HG3' HG21 ' A' ' 99' ' ' THR . 0.1 OUTLIER -65.31 -53.35 45.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.59 HG21 ' O ' ' A' ' 54' ' ' ASN . 10.6 mm -68.2 -47.67 77.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.711 ' CE1' HD23 ' A' ' 29' ' ' LEU . 7.7 t-80 -53.22 -36.0 60.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 128' ' ' LYS . . . -71.54 -21.99 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.055 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.5 -45.5 10.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.849 ' SD ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -66.1 -9.57 32.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.834 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.933 ' O ' HD23 ' A' ' 131' ' ' LEU . 3.4 pt-20 -95.78 -22.06 17.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 124' ' ' ALA . 7.0 pttp -111.36 -9.96 14.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -106.85 -66.85 0.98 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 133' ' ' ARG . 98.7 p -79.04 -57.76 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.933 HD23 ' O ' ' A' ' 127' ' ' GLU . 3.3 tp -30.82 -55.33 0.39 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.627 0.727 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.607 ' O ' HG22 ' A' ' 135' ' ' VAL . 53.6 Cg_endo -69.66 -33.95 15.92 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.417 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 130' ' ' SER . 38.7 mtp85 -80.29 -13.17 59.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.555 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 21.9 t80 -86.84 -32.43 20.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 132' ' ' PRO . 35.0 m -70.62 -29.4 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 19.0 mtt85 -69.21 -41.75 76.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 86.7 p -61.25 165.25 4.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 139' ' ' PHE . 2.2 tt0 -62.53 -40.05 95.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 138' ' ' GLU . 97.5 m-85 -35.74 -41.32 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.796 ' HA ' HD12 ' A' ' 143' ' ' LEU . 63.7 t80 -84.71 -50.35 7.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.498 ' O ' ' CB ' ' A' ' 145' ' ' SER . 81.8 mm-40 -46.3 -33.73 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 143' ' ' LEU . 2.7 pt-20 -76.56 -32.03 57.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.796 HD12 ' HA ' ' A' ' 140' ' ' TYR . 33.9 mt -61.96 -34.42 76.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.428 HG22 ' HB3' ' A' ' 22' ' ' ALA . 31.9 pt -100.9 -38.2 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 141' ' ' GLN . 12.9 t -75.55 -53.89 7.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 46.31 -148.68 2.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 148' ' ' SER . 53.5 Cg_endo -69.77 163.63 37.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.258 . . . . 0.0 112.301 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 147' ' ' PRO . 14.1 m -34.21 137.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.6 m -166.32 158.87 14.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 179.979 . . . . . . . . 0 0 . 1 stop_ save_