data_2d9n_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 2d9n _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 ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.964 0.411 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.451 ' O ' ' CD1' ' A' ' 85' ' ' LEU . 37.4 mtpt -76.91 7.85 4.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.5 t -36.65 -36.83 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.0 t -93.13 141.77 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.9 t -84.65 128.34 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 t -45.9 137.28 5.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.24 -18.25 27.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -81.08 -48.61 11.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.529 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 22.6 t90 -56.94 -38.08 72.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.447 HD21 ' CZ3' ' A' ' 71' ' ' TRP . 60.3 mt -48.65 -51.15 29.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -90.41 16.57 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 60.56 48.28 86.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.8 mt -123.66 27.77 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.2 t -130.76 137.55 49.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.63 29.42 7.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.433 ' O ' ' NE2' ' A' ' 81' ' ' GLN . 29.0 mtpp -100.45 -45.11 5.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 70.37 -111.39 3.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.523 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -81.14 -5.08 57.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.765 0.317 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.506 ' N ' ' CD ' ' A' ' 81' ' ' GLN . 1.9 mp0 -91.56 -23.47 19.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 12.3 t -48.95 166.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.35 2.85 45.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -129.86 168.05 17.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.462 ' CD1' ' HD3' ' A' ' 92' ' ' LYS . 17.8 mt -74.38 138.26 43.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.529 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 12.1 m170 -106.9 24.8 12.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -122.98 134.58 54.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -74.82 103.86 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -125.31 130.97 53.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.498 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 3.1 mmt -69.38 -10.8 59.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 50.6 p -104.15 -50.01 3.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.462 ' HD3' ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -65.24 -41.75 94.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.498 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 13.8 ptm -62.55 150.43 86.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.541 0.686 . . . . 0.0 110.886 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 173.32 11.18 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 95' ' ' GLU . 1.6 mp0 -89.3 176.66 6.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 47.1 t -69.64 108.23 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -47.04 -33.84 5.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -71.04 -60.02 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -65.73 -15.61 62.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.928 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.2 t -91.06 -27.28 18.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.564 ' HD2' ' CD1' ' A' ' 102' ' ' PHE . 4.1 tmtt? -103.4 -63.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.944 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.564 ' CD1' ' HD2' ' A' ' 101' ' ' LYS . 2.7 m-85 -79.74 -30.86 40.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.18 30.41 58.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -148.71 113.19 5.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.956 0.408 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 5.6 t -139.6 115.2 10.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.7 t -89.74 45.23 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.403 ' CB ' ' HB2' ' A' ' 110' ' ' CYS . 42.3 m-20 -110.15 125.05 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -86.02 -26.51 25.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -123.35 44.15 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.403 ' HB2' ' CB ' ' A' ' 107' ' ' ASN . 6.5 t -72.02 120.29 79.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.65 2.67 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.647 2.232 . . . . 0.0 112.321 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -105.91 166.38 10.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.3 mp -82.88 136.55 34.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 8.7 m170 -113.13 99.53 7.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 72.3 mt -109.67 132.77 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.7 t70 . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 0.0 110.862 179.883 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.912 0.387 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.466 ' O ' ' CD1' ' A' ' 85' ' ' LEU . 36.7 mtpt -74.66 7.8 2.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' LYS . 2.8 t -36.16 -32.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' LYS . 20.8 t -96.54 141.22 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.3 t -83.38 126.74 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.5 t -42.65 139.87 1.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.409 ' HG2' ' ND1' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -89.3 -22.37 22.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.954 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.409 ' ND1' ' HG2' ' A' ' 69' ' ' LYS . 8.1 m80 -78.58 -53.88 6.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -51.51 -37.55 49.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.8 mt -46.76 -51.64 15.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -95.88 16.62 17.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.44 51.9 48.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 70.8 mt -124.53 28.53 6.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -133.38 148.37 51.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.92 26.45 3.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -97.09 -35.42 10.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.33 -102.47 0.54 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.498 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -90.51 2.41 55.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.749 0.309 . . . . 0.0 110.825 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -97.71 -18.79 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.8 t -58.51 160.03 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.69 -2.08 56.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -123.32 167.8 13.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 12.1 mt -72.27 143.05 48.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -112.37 26.74 10.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -134.26 126.89 30.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -61.92 103.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -126.4 106.42 9.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.828 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 64.0 mmm -51.78 -16.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 32.8 p -97.31 -29.79 13.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.472 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -105.31 25.31 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.4 ptm -118.38 152.32 50.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.553 0.692 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 134.93 29.09 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -61.83 173.35 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 15.4 t -61.39 111.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.455 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -47.54 -36.64 10.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -70.67 -66.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -59.92 -15.03 18.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.9 t -90.88 -26.89 19.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -103.46 -64.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -81.24 -28.68 34.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.417 ' C ' ' HG2' ' A' ' 104' ' ' GLU . . . 74.09 32.48 58.46 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.512 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.417 ' HG2' ' C ' ' A' ' 103' ' ' GLY . 21.5 mm-40 -146.67 111.95 5.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.379 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.3 t -139.66 122.96 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.4 p -98.06 41.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -105.14 127.08 52.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -82.61 -42.15 18.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -110.91 46.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.6 t -72.4 118.0 63.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.6 0.714 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 3.68 2.65 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -105.41 159.28 16.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.5 mp -76.69 135.78 39.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.5 m170 -112.7 95.81 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 74.4 mt -108.09 137.66 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.843 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 65' ' ' THR . 39.1 mtpt -69.94 0.24 6.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.9 t -33.49 -38.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 64' ' ' LYS . 21.3 t -89.08 143.95 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.4 t -82.98 134.63 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.2 t -53.59 139.76 30.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -85.76 -26.88 25.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -73.69 -53.4 10.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -51.18 -38.6 53.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.9 mt -48.77 -50.05 35.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -93.84 20.57 7.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.31 51.97 50.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.515 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.7 mt -126.38 24.55 6.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.347 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 t -127.48 141.4 51.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -126.87 32.06 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -100.07 -34.08 10.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.43 -116.18 8.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.63 9.9 12.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -103.05 -21.92 13.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 12.1 t -51.13 163.92 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.52 -0.26 57.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -127.05 169.17 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 13.8 mt -74.62 135.77 42.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.463 ' N ' ' OE2' ' A' ' 87' ' ' GLU . 12.2 m170 -105.13 21.6 16.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.463 ' OE2' ' N ' ' A' ' 86' ' ' HIS . 1.7 pm0 -125.07 133.79 52.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -73.43 107.59 5.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -125.89 135.78 52.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.45 -11.78 60.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.0 p -104.46 -53.36 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -59.16 -45.39 91.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 14.9 ptm -60.57 154.41 55.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.534 0.683 . . . . 0.0 110.926 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 169.62 18.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.712 2.275 . . . . 0.0 112.35 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.484 ' N ' ' CD ' ' A' ' 95' ' ' GLU . 2.2 mp0 -93.52 168.21 11.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 100' ' ' SER . 3.4 t -63.46 116.81 5.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -54.16 -37.13 64.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -65.99 -69.05 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -59.12 -14.71 11.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 32.1 t -90.83 -28.31 18.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -102.67 -64.99 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -80.48 -27.85 37.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.33 35.35 56.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.459 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -149.05 112.44 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.927 0.394 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.568 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.5 t -139.55 120.54 14.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 58.0 m -94.86 39.33 1.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -112.26 114.68 27.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -75.11 -39.9 60.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -102.48 43.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.7 t -74.89 116.63 55.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.651 0.739 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 4.33 2.26 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.642 2.228 . . . . 0.0 112.318 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -105.3 167.25 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.6 mp -84.61 137.26 33.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 9.5 m170 -112.44 97.83 6.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 75.8 mt -100.47 131.47 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 110.84 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.896 0.379 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 65' ' ' THR . 19.8 mtpt -72.64 2.48 6.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -32.46 -37.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 64' ' ' LYS . 38.3 t -85.42 135.04 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.083 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.7 t -78.6 132.2 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.5 t -53.81 137.49 38.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.425 ' NZ ' ' HB3' ' A' ' 69' ' ' LYS . 1.0 OUTLIER -84.07 -19.71 33.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -79.26 -57.35 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.407 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 6.3 t90 -48.95 -38.29 22.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 35.8 mt -45.35 -63.73 0.88 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -83.41 7.89 15.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.74 50.96 27.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.3 mp -120.95 19.64 11.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.18 151.81 36.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -134.4 22.46 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -93.55 -43.4 8.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.07 -99.67 0.88 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -95.04 4.7 53.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.784 0.326 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -101.08 -18.43 16.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 9.2 t -54.16 163.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.8 -0.17 43.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -124.99 165.68 17.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.73 137.51 47.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.407 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 11.1 m170 -104.84 18.12 22.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -118.85 140.45 49.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -81.58 103.5 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -126.29 122.46 35.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 91.8 mmm -64.76 -7.62 11.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.1 p -103.19 -51.89 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -68.04 -38.0 81.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.3 ptm -62.98 150.25 88.59 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.19 57.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.368 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.421 ' HG2' ' CD1' ' A' ' 115' ' ' ILE . 6.2 mp0 -83.53 165.31 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 100' ' ' SER . 3.3 t -52.01 117.83 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.537 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -55.27 -30.35 59.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -74.47 -65.22 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -61.81 -14.94 37.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 47.3 t -91.43 -29.04 17.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -100.81 -64.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -79.79 -32.62 40.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.412 ' C ' ' HG2' ' A' ' 104' ' ' GLU . . . 79.52 30.76 43.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.412 ' HG2' ' C ' ' A' ' 103' ' ' GLY . 7.2 mm-40 -145.54 111.98 5.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.2 t -139.66 116.61 11.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 t -92.9 44.18 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.404 ' CB ' ' HB2' ' A' ' 110' ' ' CYS . 86.9 m-20 -107.88 127.88 54.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -82.05 -45.9 14.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -109.82 47.83 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.404 ' HB2' ' CB ' ' A' ' 107' ' ' ASN . 5.7 t -70.49 118.85 68.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.644 0.735 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.56 2.71 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -107.43 155.64 19.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.1 mp -73.64 138.02 44.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.3 m170 -112.93 99.35 7.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.421 ' CD1' ' HG2' ' A' ' 95' ' ' GLU . 57.4 mt -109.45 139.26 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.405 ' N ' HG23 ' A' ' 115' ' ' ILE . 1.8 t70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.586 0.708 . . . . 0.0 110.829 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.961 0.41 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 65' ' ' THR . 37.5 mtpt -72.13 -0.69 12.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 64' ' ' LYS . 10.1 t -33.64 -36.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' LYS . 42.9 t -88.09 138.49 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.2 t -82.91 126.77 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 9.4 t -45.44 132.22 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.06 -12.2 53.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -87.33 -50.7 6.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.476 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 5.0 t90 -57.46 -35.85 70.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.438 HD23 ' CZ3' ' A' ' 71' ' ' TRP . 36.7 mt -47.0 -50.62 18.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.5 mtm-85 -94.04 10.18 34.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.51 50.66 30.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.454 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 75' ' ' LEU . 10.4 mp -124.07 27.36 7.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.902 0.382 . . . . 0.0 110.944 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.9 t -126.86 150.15 49.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.92 21.73 4.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -94.1 -48.1 6.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.49 -97.8 0.89 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -93.9 -0.49 55.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -96.86 -23.97 16.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.6 t -49.74 166.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.413 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -100.76 -2.88 31.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.413 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 95.6 m-85 -121.05 164.0 17.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.3 mt -72.01 142.06 49.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.476 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 11.6 m170 -109.43 20.1 18.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.426 ' CD ' ' HB2' ' A' ' 89' ' ' ASP . 0.3 OUTLIER -119.46 135.3 54.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -73.06 105.72 4.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.426 ' HB2' ' CD ' ' A' ' 87' ' ' GLU . 2.5 t0 -126.16 122.89 36.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.05 -12.58 19.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.9 p -104.13 -50.79 3.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -43.36 84.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 13.9 ptm -59.72 148.69 74.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.558 0.695 . . . . 0.0 110.896 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 174.19 9.89 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.0 mp0 -85.41 169.6 13.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.0 t -58.45 124.25 18.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -57.64 -32.88 67.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -71.86 -70.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -53.38 -17.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.964 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 86.6 p -91.25 -29.88 16.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -101.67 -63.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -78.67 -29.96 45.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.28 30.39 58.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -149.5 113.12 5.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.939 0.4 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 5.1 t -139.53 114.75 9.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.2 t -90.84 40.78 1.03 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -117.17 98.74 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -64.25 -37.11 86.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -101.91 42.64 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.7 t -74.56 124.47 89.78 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.644 0.735 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 2.95 3.05 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.678 2.252 . . . . 0.0 112.399 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -107.5 174.54 5.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.5 mp -91.68 136.06 33.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 12.8 m170 -112.44 105.13 13.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 116' ' ' ASP . 62.7 mt -117.82 139.21 45.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.416 ' N ' HG22 ' A' ' 115' ' ' ILE . 4.5 t70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 0.0 110.863 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.958 0.409 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 66' ' ' VAL . 39.1 mtpt -68.83 0.03 4.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 64' ' ' LYS . 3.5 t -32.61 -35.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 64' ' ' LYS . 35.5 t -87.77 141.29 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.0 t -84.65 127.58 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.0 t -51.11 119.1 3.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -70.87 -20.19 62.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -78.08 -58.92 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.837 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.565 ' CZ3' HD22 ' A' ' 72' ' ' LEU . 6.7 t90 -47.71 -36.67 11.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.565 HD22 ' CZ3' ' A' ' 71' ' ' TRP . 33.9 mt -46.66 -56.76 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.409 ' C ' HD11 ' A' ' 75' ' ' LEU . 16.7 mmm-85 -92.25 12.78 21.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.06 51.92 26.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.409 HD11 ' C ' ' A' ' 73' ' ' ARG . 6.8 mp -119.91 23.38 11.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.9 t -126.72 151.87 47.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.02 24.13 3.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -98.57 -55.04 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.56 -107.88 2.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -82.31 -6.67 59.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.728 0.299 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.461 ' N ' ' CD ' ' A' ' 81' ' ' GLN . 1.7 mp0 -92.45 -23.72 19.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 12.0 t -48.65 165.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.74 0.63 39.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -125.22 165.5 18.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.9 mt -73.67 138.49 44.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.521 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 12.3 m170 -105.69 22.66 15.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -123.47 137.08 54.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -76.51 103.72 6.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -126.39 134.37 51.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 74.7 mmm -75.58 -11.13 59.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.1 p -103.84 -26.12 12.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -93.19 -42.11 9.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 15.4 ptm -60.08 153.37 56.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.646 0.736 . . . . 0.0 110.868 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 159.55 52.97 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.454 ' HG2' ' CD1' ' A' ' 115' ' ' ILE . 33.8 mp0 -81.01 173.17 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.416 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 7.9 t -64.1 115.86 5.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -51.49 -41.95 61.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -61.88 -62.04 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -60.35 -22.04 62.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.9 t -91.93 -13.29 31.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.576 ' HG3' ' CD2' ' A' ' 102' ' ' PHE . 2.7 tppt? -104.79 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.576 ' CD2' ' HG3' ' A' ' 101' ' ' LYS . 9.4 m-85 -94.7 -26.59 16.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.0 30.3 43.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -141.24 112.06 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.935 0.397 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.6 t -139.47 124.22 18.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.0 m -100.56 43.33 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -118.68 111.71 18.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -40.22 64.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -100.42 41.12 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.4 t -72.22 121.03 83.61 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 3.34 2.83 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.713 2.276 . . . . 0.0 112.34 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.416 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 20.7 m-85 -109.59 157.4 19.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.1 mp -75.09 138.51 42.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.1 m170 -113.05 96.42 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.809 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.454 ' CD1' ' HG2' ' A' ' 95' ' ' GLU . 82.2 mt -101.36 129.19 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.819 179.9 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.955 0.407 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 66' ' ' VAL . 39.5 mtpt -74.01 2.6 8.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.9 t -33.36 -36.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 64' ' ' LYS . 14.8 t -90.04 141.87 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 64.6 t -86.2 126.33 40.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.1 t -44.89 118.98 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.417 ' HG2' ' ND1' ' A' ' 70' ' ' HIS . 10.7 ptmt -69.27 -22.15 63.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.417 ' ND1' ' HG2' ' A' ' 69' ' ' LYS . 2.4 m80 -78.13 -66.33 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.601 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 3.4 t90 -40.41 -36.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.5 mt -43.44 -61.94 1.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.2 mtt85 -86.27 12.55 9.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.09 51.8 21.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 75' ' ' LEU . 7.2 mp -124.94 33.13 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.946 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.5 t -131.37 146.32 52.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -127.77 26.68 5.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -106.14 -58.44 1.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 86' ' ' HIS . . . 74.09 -108.56 2.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.536 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.485 ' OD2' ' NE2' ' A' ' 81' ' ' GLN . 1.0 OUTLIER -70.0 -15.58 63.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 110.859 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.485 ' NE2' ' OD2' ' A' ' 80' ' ' ASP . 16.9 mp0 -89.81 -23.62 21.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 9.3 t -50.83 165.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.29 2.8 31.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -125.76 166.62 16.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.431 ' HG ' ' CB ' ' A' ' 64' ' ' LYS . 17.8 mt -74.42 141.26 45.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.601 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 16.5 m170 -110.63 22.12 15.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -120.78 138.07 54.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -78.39 103.52 8.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -126.38 123.06 37.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.459 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 1.5 mmt -65.13 -9.42 22.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.2 p -103.03 -50.59 3.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -41.4 83.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.459 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 16.2 ptm -61.23 148.5 84.98 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 110.883 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 159.95 51.48 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.448 ' CD ' ' CD1' ' A' ' 115' ' ' ILE . 19.3 mt-10 -80.92 173.08 12.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.0 t -65.55 106.63 1.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -42.11 -34.34 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -71.26 -63.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -61.68 -16.21 46.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 t -91.19 -25.4 19.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.17 -62.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -83.5 -31.92 26.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 77.78 31.54 48.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.523 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -147.29 112.1 5.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.47 128.18 23.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.9 t -103.7 42.47 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -112.28 98.34 7.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -59.04 -40.71 85.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -103.03 43.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.8 t -77.23 115.99 53.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.651 0.738 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 3.67 2.64 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -104.85 151.06 24.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.435 ' CD2' ' O ' ' A' ' 90' ' ' MET . 4.6 mp -69.58 138.56 53.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.9 m170 -113.31 103.67 11.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.448 ' CD1' ' CD ' ' A' ' 95' ' ' GLU . 73.9 mt -111.41 128.68 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.4 t70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.617 0.722 . . . . 0.0 110.833 179.9 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.889 0.376 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 65' ' ' THR . 34.8 mtpt -78.99 11.86 2.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -35.8 -37.02 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.1 t -92.0 144.98 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.8 t -87.55 129.69 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.8 t -48.06 140.07 7.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.436 ' HB2' ' NZ ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -88.82 -20.89 24.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -78.08 -57.93 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.513 ' CZ3' HD23 ' A' ' 72' ' ' LEU . 6.7 t90 -48.73 -36.84 17.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.513 HD23 ' CZ3' ' A' ' 71' ' ' TRP . 32.9 mt -46.68 -45.41 19.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -102.93 11.54 37.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.48 41.45 76.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.472 ' N ' HD13 ' A' ' 75' ' ' LEU . 9.1 mp -113.17 23.42 13.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.347 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.3 149.07 46.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -133.95 28.61 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -103.87 -35.93 7.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.66 -98.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -87.27 -0.39 56.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.25 -20.08 17.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.9 t -57.46 165.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.11 3.2 35.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -125.18 167.69 14.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.23 141.23 47.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -110.59 26.62 10.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -131.68 127.89 37.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -62.79 103.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -124.88 117.82 24.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.507 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 2.2 mmt -59.88 -26.26 65.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.3 p -87.77 -53.55 4.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -60.7 -46.23 91.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.507 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 9.3 ptm -59.82 147.36 79.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.58 0.705 . . . . 0.0 110.905 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.65 18.43 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.297 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.2 mp0 -88.48 177.0 6.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 23.8 t -63.12 110.8 1.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.577 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -46.82 -34.27 5.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -72.67 -66.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -57.77 -15.31 7.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.0 t -92.07 -28.95 16.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -102.33 -62.94 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -81.49 -27.63 34.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 72.08 34.0 61.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -149.99 112.65 4.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.946 0.403 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.525 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.4 127.09 21.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.0 t -102.23 36.88 2.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -102.63 117.64 35.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -76.08 -37.58 58.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -111.34 45.76 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.3 t -72.33 116.95 54.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.682 0.753 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 3.1 2.96 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -104.36 168.94 8.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.0 mp -85.57 136.74 33.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.525 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.6 m170 -112.5 98.2 7.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 116' ' ' ASP . 64.8 mt -110.24 139.23 34.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.403 ' N ' HG21 ' A' ' 115' ' ' ILE . 6.4 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.619 0.723 . . . . 0.0 110.841 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.926 0.393 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 65' ' ' THR . 14.5 mtpt -73.58 3.39 6.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.7 t -34.43 -38.09 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.3 t -89.57 140.1 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.5 t -83.08 125.96 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.6 t -42.85 141.14 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -87.86 -29.93 20.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -71.09 -53.08 15.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.593 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 31.8 t90 -53.43 -41.4 66.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.9 mt -49.61 -46.72 49.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -96.38 18.94 12.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 58.11 51.95 55.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.8 mt -128.91 28.21 5.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.873 0.368 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.1 t -130.44 150.54 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -133.12 25.13 4.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.496 ' O ' ' NE2' ' A' ' 81' ' ' GLN . 49.2 mttm -97.09 -37.05 10.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.84 -108.88 2.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.16 -1.02 54.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.757 0.313 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 78' ' ' LYS . 2.0 mp0 -93.73 -23.75 18.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 7.9 t -52.18 156.76 1.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.69 -3.13 58.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -120.94 167.22 12.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 13.4 mt -75.14 137.36 41.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.593 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 14.3 m170 -106.26 27.26 8.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -130.22 127.1 38.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -67.4 102.93 1.18 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.407 ' C ' ' N ' ' A' ' 91' ' ' THR . 7.8 t0 -126.7 108.57 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.838 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 82.1 mmm -43.85 -22.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.407 ' N ' ' C ' ' A' ' 89' ' ' ASP . 32.1 p -93.38 -49.88 5.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.479 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 7.9 mmpt? -82.54 25.07 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.932 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.4 ptm -120.38 153.27 55.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.565 0.697 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 134.4 27.92 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.293 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.1 169.57 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.463 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 10.7 t -57.86 112.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -49.91 -39.99 41.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -63.92 -60.3 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -60.76 -22.27 63.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.2 p -91.62 -15.46 28.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.582 ' HG3' ' CD2' ' A' ' 102' ' ' PHE . 6.1 tppt? -102.55 -65.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.582 ' CD2' ' HG3' ' A' ' 101' ' ' LYS . 9.3 m-85 -94.38 -27.56 15.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.97 31.18 40.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.455 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -143.41 111.98 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.924 0.392 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.543 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.62 124.22 18.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.0 p -100.16 44.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -111.27 121.16 44.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.99 -41.61 35.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -109.44 46.32 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.8 t -71.66 120.21 78.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.727 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 4.11 2.39 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.299 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.463 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 26.4 m-85 -108.44 156.3 19.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.3 mp -74.48 135.71 42.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.543 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.8 m170 -113.07 94.73 5.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 116' ' ' ASP . 87.6 mt -106.69 136.77 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.41 ' N ' HG22 ' A' ' 115' ' ' ILE . 1.5 t70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.554 0.692 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.928 0.394 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' CB ' ' HG ' ' A' ' 85' ' ' LEU . 42.2 mtpt -81.61 16.5 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 92' ' ' LYS . 0.5 OUTLIER -40.98 -27.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 64' ' ' LYS . 55.8 t -103.67 143.53 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.3 t -84.69 126.37 40.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.8 t -43.51 139.14 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -19.48 25.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -81.74 -56.43 4.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.442 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 2.9 t90 -49.17 -35.11 15.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.3 mt -45.82 -55.08 7.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -93.99 20.01 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 62.81 51.98 51.74 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.5 mt -125.74 32.4 5.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.9 t -133.39 147.27 51.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -131.82 26.98 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -100.61 -40.13 7.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.43 -90.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.471 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -92.36 -3.45 55.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -98.49 -14.56 19.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.0 t -63.42 165.59 7.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.493 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 1.1 pt-20 -103.15 -6.28 22.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.493 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 89.5 m-85 -115.72 165.52 12.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.502 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 20.2 mt -72.99 140.0 47.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.442 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 10.5 m170 -107.82 18.73 20.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -121.14 129.76 53.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -65.79 103.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.425 ' O ' ' HB3' ' A' ' 93' ' ' MET . 0.9 OUTLIER -120.41 144.27 48.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.466 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 1.0 OUTLIER -83.96 -17.24 41.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 56.6 p -105.54 -40.04 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.187 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.502 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 6.9 mmpt? -81.44 18.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.466 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 21.8 ptm -121.74 150.54 55.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 138.16 37.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.751 2.3 . . . . 0.0 112.328 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -61.64 162.61 8.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.8 t -55.54 114.64 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -51.11 -37.47 46.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -66.13 -64.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -61.78 -16.08 46.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.4 t -89.74 -26.46 20.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -104.94 -64.85 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -78.83 -30.94 45.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.9 30.13 58.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.522 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -145.25 111.95 5.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.5 t -139.74 118.73 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.7 p -95.58 42.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.816 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -113.4 98.49 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -28.4 69.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -114.81 46.29 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.1 t -79.67 119.98 78.6 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.643 0.735 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 4.09 2.4 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -106.2 160.74 15.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.0 mp -77.21 136.35 38.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 8.1 m170 -112.93 99.31 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 116' ' ' ASP . 84.3 mt -110.77 138.52 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.426 ' N ' HG22 ' A' ' 115' ' ' ILE . 6.1 t70 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 121.552 0.691 . . . . 0.0 110.875 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.908 0.385 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 66' ' ' VAL . 15.3 mtpt -73.83 3.44 6.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.462 ' C ' ' O ' ' A' ' 64' ' ' LYS . 5.0 t -33.08 -34.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 64' ' ' LYS . 38.9 t -91.66 142.79 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.5 t -83.93 129.65 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.4 t -46.19 142.33 2.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -89.03 -23.93 22.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -77.07 -56.56 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 14.1 t90 -50.79 -38.14 46.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.1 mt -48.72 -47.74 41.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.4 mtt-85 -97.48 20.26 12.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 59.91 51.33 59.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.2 mt -128.79 31.53 4.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.17 144.48 48.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 77' ' ' LYS . 3.2 mppt? -128.4 19.11 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.43 ' HB3' ' N ' ' A' ' 82' ' ' CYS . 68.4 mttm -88.71 -46.08 9.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.32 -79.26 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -104.15 -2.32 25.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -99.86 -13.49 19.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.43 ' N ' ' HB3' ' A' ' 78' ' ' LYS . 7.3 t -62.64 166.03 5.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.22 -1.96 26.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -121.54 164.69 16.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 14.3 mt -71.51 142.29 50.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -109.61 23.59 14.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -121.99 132.81 54.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -69.55 103.9 2.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.933 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.469 ' O ' ' CG ' ' A' ' 93' ' ' MET . 1.8 t70 -123.72 145.05 49.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.01 -18.38 55.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.1 p -105.21 -41.04 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.481 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 2.8 mmtp -79.13 15.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 89' ' ' ASP . 12.5 ptm -120.18 152.28 54.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.572 0.701 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 144.4 53.9 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -67.81 161.93 25.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 8.1 t -52.05 116.82 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -54.64 -31.25 57.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -75.08 -57.92 3.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -65.73 -16.79 64.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.6 p -92.08 -23.21 19.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -103.44 -64.8 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -84.21 -28.76 27.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.46 33.56 52.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -147.22 112.65 5.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.909 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.5 t -139.45 127.68 22.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 81.0 p -104.71 40.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -102.85 125.16 49.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -79.19 -40.43 30.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -113.54 46.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 2.0 t -71.13 117.48 56.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.51 2.72 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -105.57 159.79 15.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.4 mp -76.99 136.7 38.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.3 m170 -113.06 95.24 5.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 116' ' ' ASP . 73.8 mt -110.06 138.06 39.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.436 ' N ' HG23 ' A' ' 115' ' ' ILE . 2.5 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.546 0.688 . . . . 0.0 110.838 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.914 0.388 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 66' ' ' VAL . 20.3 mtpt -71.79 2.41 5.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.8 t -34.13 -33.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 64' ' ' LYS . 24.3 t -93.39 146.39 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.7 t -89.26 126.25 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.3 t -45.44 140.82 2.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -88.97 -24.42 22.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -76.23 -51.82 11.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.493 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 25.9 t90 -52.86 -39.89 62.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.1 mt -46.41 -51.65 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -91.8 7.56 41.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.94 50.02 31.62 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 mp -123.96 26.84 7.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.349 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.86 135.92 49.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -119.33 26.23 9.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 80' ' ' ASP . 55.1 mttm -97.96 -41.88 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.26 -79.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 78' ' ' LYS . 78.3 m-20 -98.94 -7.26 27.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.459 ' NE2' ' HA ' ' A' ' 81' ' ' GLN . 2.9 mm-40 -93.78 -23.58 18.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.444 ' N ' ' HB3' ' A' ' 78' ' ' LYS . 8.8 t -53.89 166.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.4 -1.33 21.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -119.9 167.82 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.45 ' CD1' ' O ' ' A' ' 64' ' ' LYS . 12.9 mt -72.82 138.51 46.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.493 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 7.6 m170 -107.1 20.18 19.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -119.92 137.86 53.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -76.73 103.95 6.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -123.21 145.03 48.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.868 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.483 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 0.9 OUTLIER -80.94 -16.54 53.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.0 p -105.38 -39.78 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.429 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -81.8 20.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.483 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 8.7 ptm -121.25 150.62 54.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 110.888 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.26 14.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.729 2.286 . . . . 0.0 112.331 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -51.38 173.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 16.2 t -67.47 110.29 3.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -46.7 -39.09 10.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -69.07 -70.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -55.99 -15.05 2.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.4 t -91.18 -30.38 16.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -101.67 -63.29 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -79.85 -30.46 40.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.51 34.04 51.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -150.24 113.04 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.902 0.382 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.5 t -139.43 121.67 15.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 75.5 p -95.94 38.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.833 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -111.43 111.18 22.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -74.03 -36.93 64.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -103.19 42.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.4 t -77.12 117.25 63.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.739 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 3.4 2.78 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.703 2.268 . . . . 0.0 112.377 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -101.49 171.09 7.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.5 mp -86.96 133.13 33.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 8.7 m170 -112.29 95.53 5.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 60.0 mt -109.5 143.17 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.0 t70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.604 0.716 . . . . 0.0 110.845 179.875 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.888 0.375 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.428 ' O ' ' CD1' ' A' ' 85' ' ' LEU . 29.7 mtpt -83.02 16.86 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 t -38.45 -36.87 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.1 t -92.3 144.96 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.6 t -88.55 124.36 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.1 t -41.62 137.05 1.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -88.11 -22.02 24.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -77.27 -52.4 9.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.564 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 11.4 t90 -55.21 -37.6 67.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.1 mt -50.88 -44.58 59.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.6 mmt-85 -98.41 17.15 19.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 59.35 50.84 63.44 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.1 mt -128.07 24.85 5.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.3 t -125.34 145.06 50.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -130.24 30.12 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -102.7 -40.48 6.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.13 -99.2 0.13 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -85.46 -3.89 58.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.727 0.299 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -96.57 -17.76 20.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.1 t -60.83 166.0 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.28 -2.87 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -119.89 166.26 13.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 15.2 mt -71.82 142.43 49.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.564 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 8.6 m170 -111.52 25.08 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -130.41 128.18 40.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.95 103.9 0.4 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.405 ' O ' ' HB3' ' A' ' 93' ' ' MET . 1.1 m-20 -123.93 110.36 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.5 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 0.0 OUTLIER -53.84 -13.36 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.2 p -102.53 -47.15 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.481 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 4.1 mmpt? -83.09 25.66 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.5 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 8.8 ptm -120.9 153.36 57.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.58 0.705 . . . . 0.0 110.886 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 135.06 29.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.726 2.284 . . . . 0.0 112.328 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -64.14 167.1 6.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.7 t -60.85 112.73 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -51.12 -33.02 24.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -70.61 -66.07 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -60.74 -15.82 33.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.5 t -92.0 -25.44 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -103.53 -64.07 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -82.85 -27.89 30.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 74.12 33.18 57.47 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -148.6 113.53 5.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.932 0.396 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.568 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.8 t -139.52 131.4 27.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.8 m -107.44 44.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -114.0 97.16 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -57.85 -29.26 64.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -119.49 48.14 1.57 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.7 t -74.07 121.66 85.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.58 0.705 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 3.69 2.61 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.698 2.265 . . . . 0.0 112.376 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -106.8 175.18 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.9 mp -90.68 137.03 32.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 9.4 m170 -113.15 95.35 5.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 116' ' ' ASP . 77.1 mt -108.35 141.65 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.448 ' N ' HG22 ' A' ' 115' ' ' ILE . 5.9 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.887 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.869 0.366 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 66' ' ' VAL . 26.3 mtpt -69.7 0.55 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.51 HG22 ' N ' ' A' ' 66' ' ' VAL . 9.3 t -32.65 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.51 ' N ' HG22 ' A' ' 65' ' ' THR . 49.4 t -91.61 142.0 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.6 t -85.86 121.38 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.8 t -40.93 136.23 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.3 ptpp? -82.37 -29.21 31.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -71.47 -60.62 2.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.818 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.495 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 6.3 t90 -42.67 -40.43 2.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.5 mt -41.78 -65.67 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.46 ' CB ' HD23 ' A' ' 75' ' ' LEU . 9.4 mpt_? -86.62 11.96 11.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.438 ' C ' HD22 ' A' ' 75' ' ' LEU . . . 72.31 52.12 11.54 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.46 HD23 ' CB ' ' A' ' 73' ' ' ARG . 2.3 mm? -119.57 26.44 9.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.1 t -131.63 141.91 49.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -122.31 29.03 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -105.95 -63.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.498 ' HA2' ' CE1' ' A' ' 86' ' ' HIS . . . 81.94 -103.24 2.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -77.58 -9.84 59.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -94.96 -24.04 17.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 17.4 t -50.41 165.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.445 ' CD ' ' CE1' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -99.23 -11.22 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.445 ' CE1' ' CD ' ' A' ' 83' ' ' GLU . 97.1 m-85 -113.7 165.31 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.2 mt -72.87 143.83 47.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.498 ' CE1' ' HA2' ' A' ' 79' ' ' GLY . 13.9 m170 -110.93 25.39 11.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -126.47 135.8 51.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -78.03 103.32 7.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -126.5 124.42 40.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 80.6 mmm -64.34 -13.43 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 82.4 p -97.95 -53.54 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -64.12 -40.48 96.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 17.8 ptm -60.5 150.98 72.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.71 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.38 60.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.656 2.238 . . . . 0.0 112.384 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -78.47 169.03 18.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.471 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 12.8 t -57.69 115.44 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -51.7 -38.29 54.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -70.7 -64.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -58.82 -14.39 8.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.965 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.5 p -92.18 -34.37 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -93.55 -65.31 1.0 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -80.85 -34.57 33.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.42 35.57 25.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.44 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -150.35 111.93 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.552 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.3 t -139.5 131.72 28.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.7 t -107.07 40.18 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.431 ' CB ' ' HB2' ' A' ' 110' ' ' CYS . 8.8 m-20 -103.63 114.28 28.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -69.19 -41.98 76.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -110.83 46.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.431 ' HB2' ' CB ' ' A' ' 107' ' ' ASN . 2.0 t -73.14 116.55 51.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 7.54 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.716 2.278 . . . . 0.0 112.324 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.471 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 38.8 m-85 -109.84 149.84 29.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.7 mp -67.03 134.94 52.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.3 m170 -113.38 97.0 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 76.6 mt -109.06 140.78 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.8 t70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.634 0.73 . . . . 0.0 110.819 179.874 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.895 0.378 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 66' ' ' VAL . 43.8 mtpt -72.25 2.2 6.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.486 ' C ' ' O ' ' A' ' 64' ' ' LYS . 4.7 t -31.29 -37.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 64' ' ' LYS . 42.6 t -87.24 138.17 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.3 t -83.05 124.2 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 15.0 t -41.4 141.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -88.17 -31.05 19.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -71.38 -57.52 4.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.44 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 7.2 t90 -47.08 -38.56 11.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.8 mt -44.88 -53.76 7.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -94.36 12.43 27.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.37 51.36 22.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.0 mp -124.89 31.48 5.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.8 t -134.43 132.56 39.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.92 25.68 11.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -100.98 -55.83 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.493 ' HA2' ' CE1' ' A' ' 86' ' ' HIS . . . 72.5 -98.17 0.82 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.68 -11.23 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -91.44 -23.87 19.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 15.6 t -50.02 163.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -100.82 1.08 39.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -123.52 168.21 12.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.438 ' CD1' ' HD3' ' A' ' 92' ' ' LYS . 21.2 mt -75.5 138.59 41.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.493 ' CE1' ' HA2' ' A' ' 79' ' ' GLY . 10.9 m170 -106.99 26.0 10.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -124.87 138.36 54.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -80.22 103.71 10.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -126.21 124.94 41.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -7.91 13.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.9 p -105.7 -54.46 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.446 ' NZ ' ' HA ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -64.18 -38.99 93.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 19.5 ptm -59.92 152.27 60.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.709 . . . . 0.0 110.88 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 156.18 64.09 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -75.68 161.69 28.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.4 t -53.05 112.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.63 -39.03 49.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -68.48 -66.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -58.89 -14.31 8.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.8 t -89.3 -36.71 15.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -94.81 -65.21 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -77.55 -36.19 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.429 ' C ' ' HG2' ' A' ' 104' ' ' GLU . . . 80.29 33.25 32.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.512 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.429 ' HG2' ' C ' ' A' ' 103' ' ' GLY . 36.8 mm-40 -147.71 112.1 5.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.556 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.3 t -139.47 116.98 11.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.8 p -90.72 42.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -120.07 97.82 5.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -61.91 -41.12 97.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -97.93 42.04 1.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.4 t -75.86 120.9 83.73 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.581 0.705 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 5.68 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.64 2.227 . . . . 0.0 112.375 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -107.85 161.62 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.3 mp -76.77 134.0 39.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.556 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.4 m170 -113.09 94.73 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 116' ' ' ASP . 78.4 mt -101.16 135.2 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.415 ' N ' HG23 ' A' ' 115' ' ' ILE . 4.7 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.854 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.876 0.37 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.448 ' O ' ' CD1' ' A' ' 85' ' ' LEU . 40.9 mtpt -84.09 17.72 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -38.25 -35.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.4 t -95.82 141.08 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.168 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.4 t -85.13 126.85 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.8 t -41.31 138.38 1.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -88.73 -24.55 22.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -74.89 -55.59 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.559 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 4.7 t90 -52.02 -37.46 53.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.2 mt -49.88 -45.26 50.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -97.43 9.57 42.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.83 46.98 50.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.449 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.1 mt -124.19 29.76 6.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.3 t -134.24 146.47 50.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.06 37.61 3.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -104.86 -39.02 6.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.6 -109.1 2.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.5 -4.2 58.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.773 0.32 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -89.25 -24.17 22.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 7.0 t -49.0 164.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.71 -1.25 43.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -125.05 170.78 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 16.3 mt -76.44 132.95 39.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.559 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 10.8 m170 -102.94 22.12 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -126.48 126.76 44.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -61.97 103.87 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -125.88 103.54 7.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.476 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 0.6 OUTLIER -46.99 -20.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.7 p -92.95 -45.01 8.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.478 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 4.7 mmpt? -87.33 26.09 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.476 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 10.1 ptm -120.26 150.89 52.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.901 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 134.31 27.73 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.668 2.245 . . . . 0.0 112.382 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.4 mp0 -62.61 174.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.0 t -65.14 115.64 5.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 1.2 t80 -53.25 -32.93 50.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -72.68 -64.35 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -60.98 -17.76 53.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.1 p -89.55 -24.2 21.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -105.06 -63.99 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -82.54 -32.75 28.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.31 33.11 36.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -149.17 113.42 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.552 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.39 126.45 21.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 91.4 p -98.79 43.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -112.68 95.18 5.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -55.67 -41.79 74.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -108.43 47.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.97 120.57 80.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.733 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 3.64 2.66 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -104.36 179.71 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.437 HD13 ' N ' ' A' ' 113' ' ' LEU . 5.3 mp -97.66 136.09 38.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 15.1 m170 -111.77 99.92 8.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 58.8 mt -104.73 135.04 44.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 179.811 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 65' ' ' THR . 33.6 mtpt -68.17 -1.15 5.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.459 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.7 t -33.43 -36.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 64' ' ' LYS . 39.8 t -88.73 140.46 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 82.8 t -82.81 133.02 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 9.4 t -51.74 141.91 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.29 -21.17 24.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -79.24 -57.49 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.457 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 8.0 t90 -49.82 -37.5 30.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.5 mt -45.82 -47.28 15.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -104.55 16.06 26.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.22 51.08 40.7 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.463 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.426 HD11 ' N ' ' A' ' 75' ' ' LEU . 7.2 mp -121.85 24.03 9.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.879 0.371 . . . . 0.0 110.927 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.35 153.57 46.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -134.35 26.13 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.466 ' O ' ' NE2' ' A' ' 81' ' ' GLN . 49.6 mtpt -99.25 -42.16 7.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.61 -112.27 3.65 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.425 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -85.83 -2.54 58.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.751 0.31 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 78' ' ' LYS . 2.3 mp0 -92.3 -22.96 19.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.459 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . 17.4 t -48.71 160.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.52 0.34 57.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -126.14 167.46 15.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 12.3 mt -76.03 136.38 39.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.457 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 17.6 m170 -106.63 25.42 11.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.423 ' CD ' ' HB2' ' A' ' 89' ' ' ASP . 0.3 OUTLIER -130.19 121.39 26.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.873 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -61.46 104.13 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.423 ' HB2' ' CD ' ' A' ' 87' ' ' GLU . 6.0 t0 -126.18 107.08 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 58.4 mmm -44.24 -22.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.401 ' N ' ' C ' ' A' ' 89' ' ' ASP . 41.7 p -92.48 -50.43 5.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 7.8 mmpt? -83.06 29.92 0.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.462 ' CG ' HD13 ' A' ' 113' ' ' LEU . 10.0 ptm -119.8 152.88 54.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.711 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 128.29 15.83 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -55.78 169.15 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.2 t -61.12 112.58 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.515 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -51.21 -32.68 24.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -73.04 -63.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -63.44 -15.0 56.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.0 t -91.5 -27.13 18.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.8 -64.14 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.965 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -80.51 -29.84 37.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.3 29.58 59.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -145.43 112.73 6.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.849 0.357 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.3 t -139.46 116.08 10.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.4 m -91.9 40.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.792 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -104.5 123.08 46.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -80.79 -39.92 25.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -111.49 46.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.6 t -72.57 117.38 58.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.46 2.73 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.646 2.23 . . . . 0.0 112.36 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -104.07 167.52 9.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.462 HD13 ' CG ' ' A' ' 93' ' ' MET . 5.2 mp -83.98 136.83 33.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.9 m170 -113.43 99.03 7.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 59.2 mt -113.79 137.15 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.678 0.751 . . . . 0.0 110.832 179.914 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.889 0.376 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 66' ' ' VAL . 29.0 mtpt -79.31 12.85 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.8 t -36.78 -29.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 64' ' ' LYS . 24.5 t -104.91 147.68 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.1 t -86.7 131.21 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 9.3 t -48.54 135.86 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -86.73 -20.18 28.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -79.46 -50.24 11.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.497 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 10.5 t90 -55.62 -37.36 68.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.494 HD22 ' CZ3' ' A' ' 71' ' ' TRP . 40.6 mt -47.78 -51.05 23.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.4 mtt180 -93.52 15.66 15.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.91 51.61 55.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 80.9 mt -125.31 23.27 7.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.0 t -125.54 147.46 49.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.412 ' O ' ' HD2' ' A' ' 77' ' ' LYS . 0.3 OUTLIER -131.65 35.6 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -107.18 -38.89 5.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.84 -93.03 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -92.43 -2.04 56.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.73 0.3 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -98.36 -15.96 19.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 6.4 t -60.95 165.81 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.477 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 0.9 OUTLIER -103.36 -5.01 23.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.477 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 96.9 m-85 -118.23 163.38 16.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.49 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 20.5 mt -70.2 137.74 51.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.497 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 9.7 m170 -106.8 17.16 23.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -118.15 126.92 53.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.55 104.82 0.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.417 ' O ' ' HB3' ' A' ' 93' ' ' MET . 1.6 m-20 -120.7 144.84 48.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.486 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 0.9 OUTLIER -84.51 -18.96 34.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.1 p -104.94 -39.83 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.49 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 6.4 mmpt? -80.89 18.59 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.486 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 20.4 ptm -121.27 150.23 53.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.561 0.696 . . . . 0.0 110.885 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 138.87 38.76 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.378 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -57.25 168.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 23.1 t -55.7 114.27 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -49.32 -34.59 15.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -72.62 -66.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -58.14 -18.02 22.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.8 t -91.55 -23.04 20.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -104.9 -65.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -82.64 -28.24 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 74.82 31.64 57.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -148.65 113.55 5.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.566 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.7 t -139.46 125.05 19.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.5 p -101.91 45.06 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -109.08 124.55 50.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -82.88 -27.94 30.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -122.56 44.84 2.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.9 t -69.69 119.25 69.85 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.666 0.746 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 4.05 2.41 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.653 2.235 . . . . 0.0 112.372 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -106.14 179.18 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.8 mp -96.18 137.72 34.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 10.2 m170 -112.79 95.85 5.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 79.9 mt -105.91 132.42 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.9 t70 . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 121.61 0.719 . . . . 0.0 110.837 179.87 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.963 0.411 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 65' ' ' THR . 40.5 mtpt -71.72 1.2 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.932 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.467 ' C ' ' O ' ' A' ' 64' ' ' LYS . 9.8 t -32.32 -41.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.6 t -84.86 134.34 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 18.1 t -80.47 124.48 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.6 t -41.27 143.84 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -88.84 -31.8 18.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -69.85 -60.14 2.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.559 ' CZ3' HD23 ' A' ' 72' ' ' LEU . 3.1 t90 -43.62 -38.02 2.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.559 HD23 ' CZ3' ' A' ' 71' ' ' TRP . 35.3 mt -46.76 -47.72 20.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -100.9 14.41 31.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 66.56 47.14 71.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.474 ' N ' HD12 ' A' ' 75' ' ' LEU . 9.6 mp -118.96 25.82 9.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.71 142.61 50.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -125.71 29.67 5.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -100.3 -42.76 6.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.84 -108.83 2.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -83.4 0.08 47.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -97.29 -19.92 18.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.7 t -55.37 164.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.404 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -96.72 -8.2 31.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.404 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 97.4 m-85 -116.52 166.47 12.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.48 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 11.3 mt -72.5 134.51 45.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.492 ' N ' ' OE2' ' A' ' 87' ' ' GLU . 9.4 m170 -104.2 30.03 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.492 ' OE2' ' N ' ' A' ' 86' ' ' HIS . 1.7 pm0 -137.33 126.2 24.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.24 103.98 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.95 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 91' ' ' THR . 16.7 m-20 -125.09 101.85 7.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -41.67 -25.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 89' ' ' ASP . 35.2 p -87.78 -46.01 9.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.48 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 3.7 mmpt? -89.61 31.87 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 94' ' ' PRO . 0.5 OUTLIER -120.12 154.97 56.07 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.529 0.681 . . . . 0.0 110.88 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.41 ' O ' ' SD ' ' A' ' 93' ' ' MET . 54.4 Cg_endo -69.73 113.54 3.4 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.422 ' CB ' ' HB2' ' A' ' 113' ' ' LEU . 27.0 mp0 -50.65 175.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.476 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 12.6 t -64.62 106.58 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -47.06 -37.24 9.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -69.51 -63.6 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -63.02 -14.98 54.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.2 t -91.25 -26.74 18.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.94 -63.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -80.44 -30.62 37.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.65 34.16 49.95 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -148.97 111.88 4.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.0 t -139.59 128.78 23.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.8 p -102.47 43.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.444 ' CB ' ' HB2' ' A' ' 110' ' ' CYS . 17.4 m-20 -110.37 113.81 26.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -69.15 -44.31 72.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -108.57 47.28 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.444 ' HB2' ' CB ' ' A' ' 107' ' ' ASN . 4.1 t -72.95 117.15 57.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 4.67 2.06 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.653 2.235 . . . . 0.0 112.317 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.476 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 36.4 m-85 -105.25 160.04 15.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.422 ' HB2' ' CB ' ' A' ' 95' ' ' GLU . 5.7 mp -78.68 137.68 37.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 10.7 m170 -112.78 97.56 6.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 74.6 mt -106.59 132.75 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 179.851 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.896 0.379 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 65' ' ' THR . 36.1 mtpt -67.75 -2.79 7.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 64' ' ' LYS . 7.3 t -33.16 -42.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.1 t -86.93 141.88 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.0 t -84.56 126.31 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.7 t -43.15 138.55 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -88.26 -23.79 23.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -77.61 -55.13 5.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.6 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 7.6 t90 -49.86 -35.87 24.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.6 mt -47.29 -47.14 25.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -101.08 16.99 23.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 60.97 52.11 54.39 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.4 mt -127.08 25.91 6.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 6.3 t -117.09 143.59 45.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.409 ' O ' ' HD2' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -123.35 34.24 5.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.49 ' O ' ' NE2' ' A' ' 81' ' ' GLN . 37.6 mttp -113.54 -48.01 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.65 -111.09 3.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.429 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -76.42 -11.37 59.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.757 0.313 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 78' ' ' LYS . 3.4 mp0 -87.87 -23.97 23.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.7 t -48.73 155.67 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.473 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 0.8 OUTLIER -93.68 -5.79 47.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.473 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 97.2 m-85 -116.91 162.44 17.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.7 mt -68.73 138.26 54.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.6 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 8.2 m170 -106.0 16.21 25.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.428 ' OE1' ' N ' ' A' ' 86' ' ' HIS . 1.6 pm0 -120.95 134.37 55.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -69.66 104.76 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 93' ' ' MET . 7.9 m-20 -120.54 114.7 22.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.838 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.401 ' HA ' ' CE ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -55.02 -11.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.4 ' H ' ' C ' ' A' ' 89' ' ' ASP . 31.7 p -103.94 -53.79 2.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.105 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -35.14 79.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.407 ' HB3' ' O ' ' A' ' 89' ' ' ASP . 0.2 OUTLIER -59.97 149.39 73.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 123.37 10.02 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.716 2.277 . . . . 0.0 112.288 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.414 ' HA ' ' CD1' ' A' ' 113' ' ' LEU . 5.7 mp0 -55.01 166.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.5 t -55.08 106.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -48.78 -33.96 11.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -70.88 -59.43 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.86 -14.93 63.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.9 t -89.65 -27.41 20.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -103.05 -64.16 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -81.13 -31.23 34.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.78 36.64 41.79 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -150.03 112.26 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.568 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.39 117.99 12.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -90.52 43.61 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -116.77 126.2 52.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -85.19 -43.47 13.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -100.43 41.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 5.6 t -72.05 116.44 48.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.675 0.75 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 5.05 1.86 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.311 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -102.29 175.95 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.414 ' CD1' ' HA ' ' A' ' 95' ' ' GLU . 5.4 mp -93.09 135.39 34.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 11.8 m170 -112.88 104.15 12.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 65.5 mt -120.2 128.03 75.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.817 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.0 p -95.48 124.16 39.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.906 0.384 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 t -118.08 26.67 9.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.36 -152.64 2.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.2 p -170.29 143.01 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -42.16 -42.65 3.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.27 84.03 0.33 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -63.65 179.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.964 0.411 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.451 ' O ' ' CD1' ' A' ' 85' ' ' LEU . 37.4 mtpt -76.91 7.85 4.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.5 t -36.65 -36.83 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.0 t -93.13 141.77 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.9 t -84.65 128.34 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 t -45.9 137.28 5.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.24 -18.25 27.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -81.08 -48.61 11.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.529 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 22.6 t90 -56.94 -38.08 72.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.447 HD21 ' CZ3' ' A' ' 71' ' ' TRP . 60.3 mt -48.65 -51.15 29.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -90.41 16.57 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 60.56 48.28 86.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.8 mt -123.66 27.77 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.2 t -130.76 137.55 49.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.63 29.42 7.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.433 ' O ' ' NE2' ' A' ' 81' ' ' GLN . 29.0 mtpp -100.45 -45.11 5.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 70.37 -111.39 3.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.523 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -81.14 -5.08 57.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.765 0.317 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.506 ' N ' ' CD ' ' A' ' 81' ' ' GLN . 1.9 mp0 -91.56 -23.47 19.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 12.3 t -48.95 166.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.35 2.85 45.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -129.86 168.05 17.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.462 ' CD1' ' HD3' ' A' ' 92' ' ' LYS . 17.8 mt -74.38 138.26 43.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.529 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 12.1 m170 -106.9 24.8 12.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -122.98 134.58 54.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -74.82 103.86 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -125.31 130.97 53.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.498 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 3.1 mmt -69.38 -10.8 59.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 50.6 p -104.15 -50.01 3.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.462 ' HD3' ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -65.24 -41.75 94.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.498 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 13.8 ptm -62.55 150.43 86.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.541 0.686 . . . . 0.0 110.886 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 173.32 11.18 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 95' ' ' GLU . 1.6 mp0 -89.3 176.66 6.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 47.1 t -69.64 108.23 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -47.04 -33.84 5.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -71.04 -60.02 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -65.73 -15.61 62.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.928 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.2 t -91.06 -27.28 18.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.564 ' HD2' ' CD1' ' A' ' 102' ' ' PHE . 4.1 tmtt? -103.4 -63.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.944 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.564 ' CD1' ' HD2' ' A' ' 101' ' ' LYS . 2.7 m-85 -79.74 -30.86 40.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.18 30.41 58.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -148.71 113.19 5.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.956 0.408 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 5.6 t -139.6 115.2 10.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.7 t -89.74 45.23 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.403 ' CB ' ' HB2' ' A' ' 110' ' ' CYS . 42.3 m-20 -110.15 125.05 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -86.02 -26.51 25.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -123.35 44.15 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.403 ' HB2' ' CB ' ' A' ' 107' ' ' ASN . 6.5 t -72.02 120.29 79.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.65 2.67 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.647 2.232 . . . . 0.0 112.321 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -105.91 166.38 10.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.3 mp -82.88 136.55 34.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 8.7 m170 -113.13 99.53 7.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 72.3 mt -109.67 132.77 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.427 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 4.7 t70 -71.42 141.03 85.19 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 0.0 110.862 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 54.1 Cg_endo -69.71 3.02 2.99 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.257 . . . . 0.0 112.389 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -100.94 -4.32 27.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t -113.68 17.14 18.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -123.44 31.69 5.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 5.1 mp -113.09 135.66 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 123' ' ' ASP . 41.5 tptt -66.46 -66.99 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 122' ' ' LYS . 11.2 t70 -34.85 -60.59 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.7 m -42.38 157.67 0.22 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.576 0.703 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.538 ' HG2' ' CH2' ' A' ' 126' ' ' TRP . 54.0 Cg_endo -69.75 -0.33 6.75 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . 0.538 ' CH2' ' HG2' ' A' ' 125' ' ' PRO . 2.2 m95 -94.7 75.68 3.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 128' ' ' GLY . 21.0 m -109.14 -174.48 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -34.31 -92.08 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 130' ' ' SER . 53.9 Cg_endo -69.76 -51.43 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 129' ' ' PRO . 85.9 p -35.61 -41.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 30.0 t -78.24 148.88 33.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.082 -0.844 . . . . 0.0 112.491 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.3 t -146.07 150.81 36.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.389 . . . . 0.0 110.814 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.6 m -85.4 -33.0 22.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -110.83 -154.07 13.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.515 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.6 p -87.2 156.92 19.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.906 0.384 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.6 m -84.52 79.84 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 153.15 79.76 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -106.51 -176.0 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.466 ' O ' ' CD1' ' A' ' 85' ' ' LEU . 36.7 mtpt -74.66 7.8 2.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' LYS . 2.8 t -36.16 -32.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' LYS . 20.8 t -96.54 141.22 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.3 t -83.38 126.74 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.5 t -42.65 139.87 1.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.409 ' HG2' ' ND1' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -89.3 -22.37 22.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.954 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.409 ' ND1' ' HG2' ' A' ' 69' ' ' LYS . 8.1 m80 -78.58 -53.88 6.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -51.51 -37.55 49.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.8 mt -46.76 -51.64 15.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -95.88 16.62 17.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.44 51.9 48.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 70.8 mt -124.53 28.53 6.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -133.38 148.37 51.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.92 26.45 3.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -97.09 -35.42 10.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.33 -102.47 0.54 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.498 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -90.51 2.41 55.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.749 0.309 . . . . 0.0 110.825 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -97.71 -18.79 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.8 t -58.51 160.03 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.69 -2.08 56.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -123.32 167.8 13.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 12.1 mt -72.27 143.05 48.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -112.37 26.74 10.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -134.26 126.89 30.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -61.92 103.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -126.4 106.42 9.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.828 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 64.0 mmm -51.78 -16.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 32.8 p -97.31 -29.79 13.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.472 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -105.31 25.31 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.4 ptm -118.38 152.32 50.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.553 0.692 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 134.93 29.09 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -61.83 173.35 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 15.4 t -61.39 111.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.455 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -47.54 -36.64 10.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -70.67 -66.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -59.92 -15.03 18.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.9 t -90.88 -26.89 19.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -103.46 -64.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -81.24 -28.68 34.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.417 ' C ' ' HG2' ' A' ' 104' ' ' GLU . . . 74.09 32.48 58.46 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.512 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.417 ' HG2' ' C ' ' A' ' 103' ' ' GLY . 21.5 mm-40 -146.67 111.95 5.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.379 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.3 t -139.66 122.96 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.4 p -98.06 41.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -105.14 127.08 52.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -82.61 -42.15 18.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -110.91 46.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.6 t -72.4 118.0 63.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.6 0.714 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 3.68 2.65 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -105.41 159.28 16.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.5 mp -76.69 135.78 39.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.5 m170 -112.7 95.81 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 74.4 mt -108.09 137.66 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.418 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 2.9 t70 -66.26 140.63 96.9 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 53.0 Cg_endo -69.77 2.2 3.75 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.305 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -101.78 -37.48 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 99.7 p -64.01 -28.39 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -88.08 51.16 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 122' ' ' LYS . 73.9 mt -142.63 134.06 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.434 ' N ' HG22 ' A' ' 121' ' ' ILE . 28.5 tptt -69.93 -55.18 10.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -66.32 73.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 2.6 m -166.22 159.61 12.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.585 0.707 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.56 ' HG2' ' CE3' ' A' ' 126' ' ' TRP . 53.1 Cg_endo -69.78 -2.27 9.91 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.718 2.279 . . . . 0.0 112.311 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . 0.56 ' CE3' ' HG2' ' A' ' 125' ' ' PRO . 0.5 OUTLIER -133.52 97.13 3.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.1 m -141.69 159.38 42.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 80.33 -162.37 45.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -24.83 29.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.381 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 27.2 m -105.96 140.81 38.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 132' ' ' GLY . 91.5 p -154.13 158.75 40.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 131' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.3 p -89.78 -59.52 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.369 . . . . 0.0 110.836 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 t -61.27 -32.61 72.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.73 -166.44 26.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.0 p -111.3 -61.46 1.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.2 m -80.15 125.96 30.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.48 -108.67 0.38 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -69.04 179.83 1.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 65' ' ' THR . 39.1 mtpt -69.94 0.24 6.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.9 t -33.49 -38.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 64' ' ' LYS . 21.3 t -89.08 143.95 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.4 t -82.98 134.63 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.2 t -53.59 139.76 30.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -85.76 -26.88 25.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -73.69 -53.4 10.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -51.18 -38.6 53.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.9 mt -48.77 -50.05 35.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -93.84 20.57 7.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.31 51.97 50.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.515 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.7 mt -126.38 24.55 6.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.347 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 t -127.48 141.4 51.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -126.87 32.06 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -100.07 -34.08 10.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.43 -116.18 8.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.63 9.9 12.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -103.05 -21.92 13.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 12.1 t -51.13 163.92 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.52 -0.26 57.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -127.05 169.17 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 13.8 mt -74.62 135.77 42.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.463 ' N ' ' OE2' ' A' ' 87' ' ' GLU . 12.2 m170 -105.13 21.6 16.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.463 ' OE2' ' N ' ' A' ' 86' ' ' HIS . 1.7 pm0 -125.07 133.79 52.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -73.43 107.59 5.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -125.89 135.78 52.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.45 -11.78 60.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.0 p -104.46 -53.36 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -59.16 -45.39 91.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 14.9 ptm -60.57 154.41 55.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.534 0.683 . . . . 0.0 110.926 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 169.62 18.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.712 2.275 . . . . 0.0 112.35 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.484 ' N ' ' CD ' ' A' ' 95' ' ' GLU . 2.2 mp0 -93.52 168.21 11.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 100' ' ' SER . 3.4 t -63.46 116.81 5.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -54.16 -37.13 64.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -65.99 -69.05 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -59.12 -14.71 11.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 32.1 t -90.83 -28.31 18.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -102.67 -64.99 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -80.48 -27.85 37.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.33 35.35 56.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.459 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -149.05 112.44 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.927 0.394 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.568 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.5 t -139.55 120.54 14.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 58.0 m -94.86 39.33 1.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -112.26 114.68 27.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -75.11 -39.9 60.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -102.48 43.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.7 t -74.89 116.63 55.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.651 0.739 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 4.33 2.26 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.642 2.228 . . . . 0.0 112.318 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -105.3 167.25 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.6 mp -84.61 137.26 33.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 9.5 m170 -112.44 97.83 6.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 75.8 mt -100.47 131.47 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.401 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 5.5 t70 -58.25 140.35 83.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 110.84 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 54.2 Cg_endo -69.79 1.78 4.14 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.234 . . . . 0.0 112.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -96.87 -21.86 17.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.1 p -80.77 -32.96 35.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -95.82 79.49 3.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 40.3 mm -119.48 145.63 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 123' ' ' ASP . 0.4 OUTLIER -84.23 -56.64 3.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 122' ' ' LYS . 8.4 t0 -33.89 -44.86 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.3 m -43.1 162.69 0.17 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 4.41 2.19 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.707 2.271 . . . . 0.0 112.374 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -87.31 119.57 27.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.1 m -164.37 179.52 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 104.49 -136.43 13.05 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -38.56 7.75 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.25 . . . . 0.0 112.373 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 78.4 p -144.32 125.15 14.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 t -133.06 -45.0 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.458 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 p -57.05 -43.94 82.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.4 t -92.04 19.79 6.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.41 -98.28 1.12 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.6 p -57.86 154.77 11.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 62' ' ' GLY . 49.7 m -83.35 38.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 61' ' ' SER . . . 34.56 -147.69 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.522 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -61.69 176.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 65' ' ' THR . 19.8 mtpt -72.64 2.48 6.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -32.46 -37.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 64' ' ' LYS . 38.3 t -85.42 135.04 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.083 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.7 t -78.6 132.2 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.5 t -53.81 137.49 38.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.425 ' NZ ' ' HB3' ' A' ' 69' ' ' LYS . 1.0 OUTLIER -84.07 -19.71 33.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -79.26 -57.35 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.407 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 6.3 t90 -48.95 -38.29 22.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 35.8 mt -45.35 -63.73 0.88 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -83.41 7.89 15.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.74 50.96 27.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.3 mp -120.95 19.64 11.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.18 151.81 36.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -134.4 22.46 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -93.55 -43.4 8.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.07 -99.67 0.88 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -95.04 4.7 53.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.784 0.326 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -101.08 -18.43 16.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 9.2 t -54.16 163.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.8 -0.17 43.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -124.99 165.68 17.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.73 137.51 47.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.407 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 11.1 m170 -104.84 18.12 22.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -118.85 140.45 49.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -81.58 103.5 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -126.29 122.46 35.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 91.8 mmm -64.76 -7.62 11.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.1 p -103.19 -51.89 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -68.04 -38.0 81.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.3 ptm -62.98 150.25 88.59 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.19 57.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.368 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.421 ' HG2' ' CD1' ' A' ' 115' ' ' ILE . 6.2 mp0 -83.53 165.31 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 100' ' ' SER . 3.3 t -52.01 117.83 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.537 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -55.27 -30.35 59.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -74.47 -65.22 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -61.81 -14.94 37.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 47.3 t -91.43 -29.04 17.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -100.81 -64.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -79.79 -32.62 40.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.412 ' C ' ' HG2' ' A' ' 104' ' ' GLU . . . 79.52 30.76 43.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.412 ' HG2' ' C ' ' A' ' 103' ' ' GLY . 7.2 mm-40 -145.54 111.98 5.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.2 t -139.66 116.61 11.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 t -92.9 44.18 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.404 ' CB ' ' HB2' ' A' ' 110' ' ' CYS . 86.9 m-20 -107.88 127.88 54.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -82.05 -45.9 14.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -109.82 47.83 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.404 ' HB2' ' CB ' ' A' ' 107' ' ' ASN . 5.7 t -70.49 118.85 68.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.644 0.735 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.56 2.71 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -107.43 155.64 19.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.1 mp -73.64 138.02 44.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.3 m170 -112.93 99.35 7.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.421 ' CD1' ' HG2' ' A' ' 95' ' ' GLU . 57.4 mt -109.45 139.26 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.419 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 1.8 t70 -65.17 141.02 98.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.586 0.708 . . . . 0.0 110.829 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 53.4 Cg_endo -69.82 1.44 4.47 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -101.46 -29.2 12.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.7 m -78.2 -15.52 58.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -102.65 54.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.8 mt -141.17 140.68 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.89 -12.05 9.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -103.21 44.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 14.3 p -103.43 151.09 38.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.562 0.696 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -27.01 26.84 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.69 2.26 . . . . 0.0 112.362 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -49.74 150.95 1.89 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 31.4 t -174.59 123.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 76.36 -137.42 21.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -26.33 27.56 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.661 2.241 . . . . 0.0 112.367 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.6 t -50.41 -50.2 52.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 96.0 p -44.94 -51.84 9.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.503 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.7 p -76.01 135.56 39.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.3 t -87.85 -32.67 18.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 162.95 174.36 32.77 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.462 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.2 m -51.72 94.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 110.864 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.1 m -124.27 82.65 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.02 71.6 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -59.6 176.32 0.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.961 0.41 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 65' ' ' THR . 37.5 mtpt -72.13 -0.69 12.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 64' ' ' LYS . 10.1 t -33.64 -36.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' LYS . 42.9 t -88.09 138.49 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.2 t -82.91 126.77 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 9.4 t -45.44 132.22 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.06 -12.2 53.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -87.33 -50.7 6.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.476 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 5.0 t90 -57.46 -35.85 70.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.438 HD23 ' CZ3' ' A' ' 71' ' ' TRP . 36.7 mt -47.0 -50.62 18.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.5 mtm-85 -94.04 10.18 34.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.51 50.66 30.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.454 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 75' ' ' LEU . 10.4 mp -124.07 27.36 7.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.902 0.382 . . . . 0.0 110.944 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.9 t -126.86 150.15 49.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.92 21.73 4.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -94.1 -48.1 6.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.49 -97.8 0.89 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -93.9 -0.49 55.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -96.86 -23.97 16.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.6 t -49.74 166.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.413 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -100.76 -2.88 31.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.413 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 95.6 m-85 -121.05 164.0 17.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.3 mt -72.01 142.06 49.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.476 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 11.6 m170 -109.43 20.1 18.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.426 ' CD ' ' HB2' ' A' ' 89' ' ' ASP . 0.3 OUTLIER -119.46 135.3 54.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -73.06 105.72 4.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.426 ' HB2' ' CD ' ' A' ' 87' ' ' GLU . 2.5 t0 -126.16 122.89 36.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.05 -12.58 19.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.9 p -104.13 -50.79 3.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -43.36 84.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 13.9 ptm -59.72 148.69 74.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.558 0.695 . . . . 0.0 110.896 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 174.19 9.89 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.0 mp0 -85.41 169.6 13.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.0 t -58.45 124.25 18.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -57.64 -32.88 67.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -71.86 -70.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -53.38 -17.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.964 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 86.6 p -91.25 -29.88 16.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -101.67 -63.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -78.67 -29.96 45.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.28 30.39 58.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -149.5 113.12 5.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.939 0.4 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 5.1 t -139.53 114.75 9.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.2 t -90.84 40.78 1.03 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -117.17 98.74 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -64.25 -37.11 86.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -101.91 42.64 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.7 t -74.56 124.47 89.78 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.644 0.735 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 2.95 3.05 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.678 2.252 . . . . 0.0 112.399 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -107.5 174.54 5.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.5 mp -91.68 136.06 33.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 12.8 m170 -112.44 105.13 13.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 116' ' ' ASP . 62.7 mt -117.82 139.21 45.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.427 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 4.5 t70 -60.42 140.98 91.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 0.0 110.863 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 53.7 Cg_endo -69.78 3.42 2.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.354 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -98.37 -24.59 15.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.8 t -82.79 -33.97 27.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -85.84 68.87 10.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 77.6 mt -145.21 130.33 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -74.67 -40.82 61.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.31 52.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.8 m -157.39 160.61 30.28 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 110.825 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.454 ' HG2' ' CZ3' ' A' ' 126' ' ' TRP . 54.1 Cg_endo -69.75 2.89 3.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . 0.454 ' CZ3' ' HG2' ' A' ' 125' ' ' PRO . 3.0 m95 -94.33 145.07 25.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.962 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.4 t -139.34 111.69 7.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 63.97 -147.33 50.73 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.54 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -41.47 4.24 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 88.3 p -81.2 93.22 6.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 90.3 p -79.05 105.28 10.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.446 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 85.6 p -84.32 110.75 18.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.851 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.0 p -115.66 26.7 9.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -109.42 -58.33 0.52 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.0 p 41.91 40.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.918 0.389 . . . . 0.0 110.879 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 m -133.27 109.24 9.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.891 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.53 119.83 6.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.516 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -69.09 -175.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.958 0.409 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 66' ' ' VAL . 39.1 mtpt -68.83 0.03 4.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 64' ' ' LYS . 3.5 t -32.61 -35.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 64' ' ' LYS . 35.5 t -87.77 141.29 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.0 t -84.65 127.58 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.0 t -51.11 119.1 3.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -70.87 -20.19 62.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -78.08 -58.92 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.837 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.565 ' CZ3' HD22 ' A' ' 72' ' ' LEU . 6.7 t90 -47.71 -36.67 11.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.565 HD22 ' CZ3' ' A' ' 71' ' ' TRP . 33.9 mt -46.66 -56.76 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.409 ' C ' HD11 ' A' ' 75' ' ' LEU . 16.7 mmm-85 -92.25 12.78 21.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.06 51.92 26.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.409 HD11 ' C ' ' A' ' 73' ' ' ARG . 6.8 mp -119.91 23.38 11.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.9 t -126.72 151.87 47.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.02 24.13 3.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -98.57 -55.04 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.56 -107.88 2.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -82.31 -6.67 59.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.728 0.299 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.461 ' N ' ' CD ' ' A' ' 81' ' ' GLN . 1.7 mp0 -92.45 -23.72 19.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 12.0 t -48.65 165.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.74 0.63 39.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -125.22 165.5 18.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.9 mt -73.67 138.49 44.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.521 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 12.3 m170 -105.69 22.66 15.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -123.47 137.08 54.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -76.51 103.72 6.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -126.39 134.37 51.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 74.7 mmm -75.58 -11.13 59.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.1 p -103.84 -26.12 12.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -93.19 -42.11 9.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 15.4 ptm -60.08 153.37 56.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.646 0.736 . . . . 0.0 110.868 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 159.55 52.97 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.454 ' HG2' ' CD1' ' A' ' 115' ' ' ILE . 33.8 mp0 -81.01 173.17 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.416 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 7.9 t -64.1 115.86 5.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -51.49 -41.95 61.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -61.88 -62.04 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -60.35 -22.04 62.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.9 t -91.93 -13.29 31.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.576 ' HG3' ' CD2' ' A' ' 102' ' ' PHE . 2.7 tppt? -104.79 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.576 ' CD2' ' HG3' ' A' ' 101' ' ' LYS . 9.4 m-85 -94.7 -26.59 16.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.0 30.3 43.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -141.24 112.06 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.935 0.397 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.6 t -139.47 124.22 18.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.0 m -100.56 43.33 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -118.68 111.71 18.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -40.22 64.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -100.42 41.12 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.4 t -72.22 121.03 83.61 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 3.34 2.83 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.713 2.276 . . . . 0.0 112.34 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.416 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 20.7 m-85 -109.59 157.4 19.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.1 mp -75.09 138.51 42.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.1 m170 -113.05 96.42 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.809 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.454 ' CD1' ' HG2' ' A' ' 95' ' ' GLU . 82.2 mt -101.36 129.19 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -62.2 139.69 96.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.41 4.49 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -102.27 -4.51 25.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.2 m -105.88 -26.06 11.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -89.36 51.84 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 9.8 mm -100.77 146.48 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 123' ' ' ASP . 0.0 OUTLIER -102.31 -29.23 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.827 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.442 ' N ' ' HG2' ' A' ' 122' ' ' LYS . 4.4 p-10 -97.29 44.67 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 31.6 p -115.53 143.73 31.1 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.491 ' HG2' ' CZ3' ' A' ' 126' ' ' TRP . 54.0 Cg_endo -69.73 -2.96 11.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . 0.491 ' CZ3' ' HG2' ' A' ' 125' ' ' PRO . 2.8 m95 -84.34 169.13 14.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.3 t -156.25 111.66 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 55.61 -164.65 4.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 -17.2 38.16 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 2.258 . . . . 0.0 112.383 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 131' ' ' SER . 11.1 t -44.6 -56.99 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 130' ' ' SER . 33.4 t -34.88 -49.16 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.103 -0.831 . . . . 0.0 112.493 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.9 m -93.92 116.08 28.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.37 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.2 m -92.65 26.76 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.12 143.69 14.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.1 p -112.79 -50.65 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.862 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.0 m -48.79 122.26 5.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -113.3 88.77 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.532 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -53.66 -177.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.955 0.407 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 66' ' ' VAL . 39.5 mtpt -74.01 2.6 8.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.9 t -33.36 -36.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 64' ' ' LYS . 14.8 t -90.04 141.87 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 64.6 t -86.2 126.33 40.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.1 t -44.89 118.98 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.417 ' HG2' ' ND1' ' A' ' 70' ' ' HIS . 10.7 ptmt -69.27 -22.15 63.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.417 ' ND1' ' HG2' ' A' ' 69' ' ' LYS . 2.4 m80 -78.13 -66.33 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.601 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 3.4 t90 -40.41 -36.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.5 mt -43.44 -61.94 1.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.2 mtt85 -86.27 12.55 9.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.09 51.8 21.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 75' ' ' LEU . 7.2 mp -124.94 33.13 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.946 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.5 t -131.37 146.32 52.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -127.77 26.68 5.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -106.14 -58.44 1.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.569 ' HA2' ' CE1' ' A' ' 86' ' ' HIS . . . 74.09 -108.56 2.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.536 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.485 ' OD2' ' NE2' ' A' ' 81' ' ' GLN . 1.0 OUTLIER -70.0 -15.58 63.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 110.859 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.485 ' NE2' ' OD2' ' A' ' 80' ' ' ASP . 16.9 mp0 -89.81 -23.62 21.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 9.3 t -50.83 165.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.29 2.8 31.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -125.76 166.62 16.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.431 ' HG ' ' CB ' ' A' ' 64' ' ' LYS . 17.8 mt -74.42 141.26 45.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.601 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 16.5 m170 -110.63 22.12 15.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -120.78 138.07 54.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -78.39 103.52 8.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -126.38 123.06 37.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.459 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 1.5 mmt -65.13 -9.42 22.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.2 p -103.03 -50.59 3.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -41.4 83.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.459 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 16.2 ptm -61.23 148.5 84.98 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 110.883 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 159.95 51.48 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.448 ' CD ' ' CD1' ' A' ' 115' ' ' ILE . 19.3 mt-10 -80.92 173.08 12.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.0 t -65.55 106.63 1.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -42.11 -34.34 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -71.26 -63.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -61.68 -16.21 46.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 t -91.19 -25.4 19.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.17 -62.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -83.5 -31.92 26.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 77.78 31.54 48.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.523 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -147.29 112.1 5.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.47 128.18 23.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.9 t -103.7 42.47 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -112.28 98.34 7.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -59.04 -40.71 85.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -103.03 43.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.8 t -77.23 115.99 53.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.651 0.738 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 3.67 2.64 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -104.85 151.06 24.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.435 ' CD2' ' O ' ' A' ' 90' ' ' MET . 4.6 mp -69.58 138.56 53.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.9 m170 -113.31 103.67 11.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.448 ' CD1' ' CD ' ' A' ' 95' ' ' GLU . 73.9 mt -111.41 128.68 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -51.58 137.29 32.58 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.617 0.722 . . . . 0.0 110.833 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 2.01 3.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.261 . . . . 0.0 112.36 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -108.46 -13.59 14.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.9 t -91.8 14.08 16.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -131.15 -29.1 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 98.4 mt -40.6 146.09 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.164 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 123' ' ' ASP . 19.1 tptm -108.58 -64.4 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 122' ' ' LYS . 7.6 t70 -32.72 -43.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 123' ' ' ASP . 20.3 p -34.46 151.03 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.607 0.718 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -15.33 37.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.361 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -69.7 95.31 0.87 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.1 m -98.61 -66.66 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -59.19 -151.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -28.68 25.2 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 79.4 p -128.67 -51.81 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 25.5 p -174.52 134.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.52 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 81.2 p -93.85 43.51 1.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.4 t -111.46 25.23 11.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -114.67 -131.38 5.11 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.7 t -86.16 50.27 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.2 p -131.25 161.99 31.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.77 38.12 5.9 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.447 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -58.55 178.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 65' ' ' THR . 34.8 mtpt -78.99 11.86 2.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -35.8 -37.02 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.1 t -92.0 144.98 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.8 t -87.55 129.69 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.8 t -48.06 140.07 7.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.436 ' HB2' ' NZ ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -88.82 -20.89 24.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -78.08 -57.93 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.513 ' CZ3' HD23 ' A' ' 72' ' ' LEU . 6.7 t90 -48.73 -36.84 17.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.513 HD23 ' CZ3' ' A' ' 71' ' ' TRP . 32.9 mt -46.68 -45.41 19.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -102.93 11.54 37.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.48 41.45 76.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.472 ' N ' HD13 ' A' ' 75' ' ' LEU . 9.1 mp -113.17 23.42 13.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.347 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.3 149.07 46.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -133.95 28.61 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -103.87 -35.93 7.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.66 -98.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -87.27 -0.39 56.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.25 -20.08 17.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.9 t -57.46 165.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.11 3.2 35.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -125.18 167.69 14.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.23 141.23 47.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -110.59 26.62 10.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -131.68 127.89 37.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -62.79 103.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -124.88 117.82 24.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.507 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 2.2 mmt -59.88 -26.26 65.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.3 p -87.77 -53.55 4.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -60.7 -46.23 91.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.507 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 9.3 ptm -59.82 147.36 79.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.58 0.705 . . . . 0.0 110.905 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.65 18.43 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.297 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.2 mp0 -88.48 177.0 6.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 23.8 t -63.12 110.8 1.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.577 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -46.82 -34.27 5.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -72.67 -66.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -57.77 -15.31 7.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.0 t -92.07 -28.95 16.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -102.33 -62.94 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -81.49 -27.63 34.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 72.08 34.0 61.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -149.99 112.65 4.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.946 0.403 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.525 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.4 127.09 21.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.0 t -102.23 36.88 2.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -102.63 117.64 35.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -76.08 -37.58 58.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -111.34 45.76 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.3 t -72.33 116.95 54.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.682 0.753 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 3.1 2.96 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -104.36 168.94 8.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.0 mp -85.57 136.74 33.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.525 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.6 m170 -112.5 98.2 7.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 116' ' ' ASP . 64.8 mt -110.24 139.23 34.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.403 ' N ' HG21 ' A' ' 115' ' ' ILE . 6.4 t70 -65.03 138.96 97.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.619 0.723 . . . . 0.0 110.841 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -0.71 7.29 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -98.33 -14.77 20.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.2 t -91.67 -21.83 20.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -97.35 49.12 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 17.7 mm -109.59 144.13 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.91 -23.89 8.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.82 -61.35 2.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.7 m -42.24 161.52 0.16 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.594 0.712 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.579 ' HG2' ' CE3' ' A' ' 126' ' ' TRP . 54.4 Cg_endo -69.79 4.07 2.42 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . 0.579 ' CE3' ' HG2' ' A' ' 125' ' ' PRO . 0.4 OUTLIER -134.77 135.37 41.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.7 t -157.19 165.48 35.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 87.03 -166.62 37.18 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -13.07 34.0 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.29 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 44.9 t -122.13 116.98 25.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 96.2 p -128.21 129.12 45.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.489 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.6 m 46.02 43.1 10.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.7 t -89.49 26.87 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.49 162.38 9.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.52 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.4 t -45.43 168.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.7 t -110.34 -50.69 2.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -90.01 52.45 3.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -59.66 -178.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.926 0.393 . . . . 0.0 110.919 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 65' ' ' THR . 14.5 mtpt -73.58 3.39 6.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.7 t -34.43 -38.09 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.3 t -89.57 140.1 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.5 t -83.08 125.96 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.6 t -42.85 141.14 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -87.86 -29.93 20.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -71.09 -53.08 15.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.593 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 31.8 t90 -53.43 -41.4 66.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.9 mt -49.61 -46.72 49.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -96.38 18.94 12.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 58.11 51.95 55.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.8 mt -128.91 28.21 5.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.873 0.368 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.1 t -130.44 150.54 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -133.12 25.13 4.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.496 ' O ' ' NE2' ' A' ' 81' ' ' GLN . 49.2 mttm -97.09 -37.05 10.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.84 -108.88 2.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.16 -1.02 54.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.757 0.313 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 78' ' ' LYS . 2.0 mp0 -93.73 -23.75 18.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 7.9 t -52.18 156.76 1.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.69 -3.13 58.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -120.94 167.22 12.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 13.4 mt -75.14 137.36 41.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.593 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 14.3 m170 -106.26 27.26 8.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -130.22 127.1 38.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -67.4 102.93 1.18 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.407 ' C ' ' N ' ' A' ' 91' ' ' THR . 7.8 t0 -126.7 108.57 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.838 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 82.1 mmm -43.85 -22.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.407 ' N ' ' C ' ' A' ' 89' ' ' ASP . 32.1 p -93.38 -49.88 5.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.479 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 7.9 mmpt? -82.54 25.07 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.932 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.4 ptm -120.38 153.27 55.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.565 0.697 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 134.4 27.92 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.293 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.1 169.57 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.463 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 10.7 t -57.86 112.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -49.91 -39.99 41.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -63.92 -60.3 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -60.76 -22.27 63.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.2 p -91.62 -15.46 28.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.582 ' HG3' ' CD2' ' A' ' 102' ' ' PHE . 6.1 tppt? -102.55 -65.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.582 ' CD2' ' HG3' ' A' ' 101' ' ' LYS . 9.3 m-85 -94.38 -27.56 15.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.97 31.18 40.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.455 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -143.41 111.98 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.924 0.392 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.543 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.62 124.22 18.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.0 p -100.16 44.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -111.27 121.16 44.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.99 -41.61 35.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -109.44 46.32 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.8 t -71.66 120.21 78.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.727 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 4.11 2.39 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.299 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.463 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 26.4 m-85 -108.44 156.3 19.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.3 mp -74.48 135.71 42.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.543 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.8 m170 -113.07 94.73 5.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 116' ' ' ASP . 87.6 mt -106.69 136.77 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.41 ' N ' HG22 ' A' ' 115' ' ' ILE . 1.5 t70 -53.92 139.84 52.05 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.554 0.692 . . . . 0.0 110.877 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 0.54 5.51 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.707 2.272 . . . . 0.0 112.345 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.435 ' HA ' ' CD1' ' A' ' 121' ' ' ILE . 13.0 mt-10 -98.68 -22.04 16.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.2 p -94.76 0.77 55.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -92.94 -31.72 14.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.435 ' CD1' ' HA ' ' A' ' 118' ' ' GLU . 2.9 mp -39.76 150.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -97.98 -60.42 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.88 82.84 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 11.8 p -108.61 146.55 33.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.7 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 2.31 3.64 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -87.14 114.97 24.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.9 m -106.52 -57.14 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 160.94 -84.39 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.516 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 2.43 3.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 41.1 t -114.52 -37.24 4.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 71.1 m -39.77 130.14 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.474 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.5 m -109.2 41.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.823 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.9 p -107.26 -32.23 7.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.97 67.43 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.443 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.0 t -103.84 159.57 15.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.4 m -44.69 108.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -111.9 -174.06 19.57 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.529 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -76.89 178.46 6.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' CB ' ' HG ' ' A' ' 85' ' ' LEU . 42.2 mtpt -81.61 16.5 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 92' ' ' LYS . 0.5 OUTLIER -40.98 -27.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 64' ' ' LYS . 55.8 t -103.67 143.53 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.3 t -84.69 126.37 40.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.8 t -43.51 139.14 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -19.48 25.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -81.74 -56.43 4.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.442 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 2.9 t90 -49.17 -35.11 15.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.3 mt -45.82 -55.08 7.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -93.99 20.01 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 62.81 51.98 51.74 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.5 mt -125.74 32.4 5.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.9 t -133.39 147.27 51.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -131.82 26.98 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -100.61 -40.13 7.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.43 -90.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.471 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -92.36 -3.45 55.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -98.49 -14.56 19.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.0 t -63.42 165.59 7.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.493 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 1.1 pt-20 -103.15 -6.28 22.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.493 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 89.5 m-85 -115.72 165.52 12.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.502 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 20.2 mt -72.99 140.0 47.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.442 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 10.5 m170 -107.82 18.73 20.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -121.14 129.76 53.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -65.79 103.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.425 ' O ' ' HB3' ' A' ' 93' ' ' MET . 0.9 OUTLIER -120.41 144.27 48.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.466 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 1.0 OUTLIER -83.96 -17.24 41.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 56.6 p -105.54 -40.04 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.187 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.502 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 6.9 mmpt? -81.44 18.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.466 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 21.8 ptm -121.74 150.54 55.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 138.16 37.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.751 2.3 . . . . 0.0 112.328 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -61.64 162.61 8.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.8 t -55.54 114.64 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -51.11 -37.47 46.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -66.13 -64.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -61.78 -16.08 46.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.4 t -89.74 -26.46 20.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -104.94 -64.85 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -78.83 -30.94 45.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.9 30.13 58.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.522 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -145.25 111.95 5.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.5 t -139.74 118.73 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.7 p -95.58 42.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.816 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -113.4 98.49 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -28.4 69.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -114.81 46.29 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.1 t -79.67 119.98 78.6 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.643 0.735 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 4.09 2.4 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -106.2 160.74 15.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.0 mp -77.21 136.35 38.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 8.1 m170 -112.93 99.31 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 116' ' ' ASP . 84.3 mt -110.77 138.52 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.426 ' N ' HG22 ' A' ' 115' ' ' ILE . 6.1 t70 -57.85 139.21 82.6 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.552 0.691 . . . . 0.0 110.875 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 0.71 5.24 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.659 2.24 . . . . 0.0 112.333 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -95.45 -20.4 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.8 t -76.35 -27.53 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -98.76 79.28 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 15.2 mm -136.89 150.26 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -103.79 -50.52 3.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.494 ' CG ' ' N ' ' A' ' 124' ' ' CYS . 0.2 OUTLIER -38.97 -51.65 1.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.494 ' N ' ' CG ' ' A' ' 123' ' ' ASP . 4.1 m -41.43 158.93 0.18 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.589 0.709 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.533 ' HG2' ' CZ3' ' A' ' 126' ' ' TRP . 53.2 Cg_endo -69.82 1.78 4.16 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.285 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . 0.533 ' CZ3' ' HG2' ' A' ' 125' ' ' PRO . 2.6 m95 -92.69 128.3 38.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 79.0 p -96.62 91.19 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.67 -164.06 12.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.439 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -34.94 13.74 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.273 . . . . 0.0 112.343 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.3 t -65.04 -43.26 92.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 55.0 p 47.23 41.32 11.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.537 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 t -111.05 42.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 0.0 110.853 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.6 m -111.13 -32.88 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.5 45.36 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.9 m -114.95 112.62 22.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 110.86 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 t -103.82 -41.96 5.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.77 117.26 7.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -93.1 -176.52 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 0.0 110.922 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 66' ' ' VAL . 15.3 mtpt -73.83 3.44 6.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.462 ' C ' ' O ' ' A' ' 64' ' ' LYS . 5.0 t -33.08 -34.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 64' ' ' LYS . 38.9 t -91.66 142.79 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.5 t -83.93 129.65 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.4 t -46.19 142.33 2.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -89.03 -23.93 22.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -77.07 -56.56 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 14.1 t90 -50.79 -38.14 46.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.1 mt -48.72 -47.74 41.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.4 mtt-85 -97.48 20.26 12.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 59.91 51.33 59.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.2 mt -128.79 31.53 4.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.17 144.48 48.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 77' ' ' LYS . 3.2 mppt? -128.4 19.11 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.43 ' HB3' ' N ' ' A' ' 82' ' ' CYS . 68.4 mttm -88.71 -46.08 9.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.32 -79.26 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -104.15 -2.32 25.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -99.86 -13.49 19.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.43 ' N ' ' HB3' ' A' ' 78' ' ' LYS . 7.3 t -62.64 166.03 5.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.22 -1.96 26.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -121.54 164.69 16.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 14.3 mt -71.51 142.29 50.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -109.61 23.59 14.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -121.99 132.81 54.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -69.55 103.9 2.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.933 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.469 ' O ' ' CG ' ' A' ' 93' ' ' MET . 1.8 t70 -123.72 145.05 49.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.01 -18.38 55.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.1 p -105.21 -41.04 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.481 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 2.8 mmtp -79.13 15.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 89' ' ' ASP . 12.5 ptm -120.18 152.28 54.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.572 0.701 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 144.4 53.9 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -67.81 161.93 25.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 8.1 t -52.05 116.82 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -54.64 -31.25 57.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -75.08 -57.92 3.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -65.73 -16.79 64.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.6 p -92.08 -23.21 19.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -103.44 -64.8 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -84.21 -28.76 27.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.46 33.56 52.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -147.22 112.65 5.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.909 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.5 t -139.45 127.68 22.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 81.0 p -104.71 40.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -102.85 125.16 49.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -79.19 -40.43 30.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -113.54 46.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 2.0 t -71.13 117.48 56.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.51 2.72 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -105.57 159.79 15.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.4 mp -76.99 136.7 38.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.3 m170 -113.06 95.24 5.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 116' ' ' ASP . 73.8 mt -110.06 138.06 39.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.436 ' N ' HG23 ' A' ' 115' ' ' ILE . 2.5 t70 -61.5 140.5 94.88 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.546 0.688 . . . . 0.0 110.838 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 53.9 Cg_endo -69.67 2.78 3.18 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.683 2.256 . . . . 0.0 112.339 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -104.43 -17.35 14.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.0 m -88.05 -25.49 23.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -90.26 45.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 24.0 mm -106.76 138.45 32.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 123' ' ' ASP . 9.8 tptp -83.69 -59.7 2.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 122' ' ' LYS . 1.0 OUTLIER -35.25 -53.13 0.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.845 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 16.9 m -41.03 152.17 0.25 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.588 0.708 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.435 ' HG2' ' CZ3' ' A' ' 126' ' ' TRP . 53.7 Cg_endo -69.76 1.17 4.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.298 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . 0.435 ' CZ3' ' HG2' ' A' ' 125' ' ' PRO . 3.3 m95 -88.82 84.27 6.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.9 t -120.43 84.94 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 117.32 -167.59 12.71 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.441 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -45.15 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.354 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.5 t -104.38 42.81 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.812 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 75.7 m 45.08 41.24 5.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.451 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.2 m -88.04 82.18 7.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.7 m -103.47 -32.32 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.65 114.42 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.8 p -84.03 167.6 16.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 m 44.7 45.95 8.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 63' ' ' GLU . . . -73.37 -37.66 53.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.506 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 62' ' ' GLY . 7.7 pt-20 -50.32 -177.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.914 0.388 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 66' ' ' VAL . 20.3 mtpt -71.79 2.41 5.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.8 t -34.13 -33.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 64' ' ' LYS . 24.3 t -93.39 146.39 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.7 t -89.26 126.25 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.3 t -45.44 140.82 2.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -88.97 -24.42 22.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -76.23 -51.82 11.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.493 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 25.9 t90 -52.86 -39.89 62.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.1 mt -46.41 -51.65 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -91.8 7.56 41.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.94 50.02 31.62 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 mp -123.96 26.84 7.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.349 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.86 135.92 49.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -119.33 26.23 9.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 80' ' ' ASP . 55.1 mttm -97.96 -41.88 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.26 -79.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 78' ' ' LYS . 78.3 m-20 -98.94 -7.26 27.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.459 ' NE2' ' HA ' ' A' ' 81' ' ' GLN . 2.9 mm-40 -93.78 -23.58 18.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.444 ' N ' ' HB3' ' A' ' 78' ' ' LYS . 8.8 t -53.89 166.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.4 -1.33 21.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -119.9 167.82 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.45 ' CD1' ' O ' ' A' ' 64' ' ' LYS . 12.9 mt -72.82 138.51 46.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.493 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 7.6 m170 -107.1 20.18 19.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -119.92 137.86 53.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -76.73 103.95 6.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -123.21 145.03 48.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.868 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.483 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 0.9 OUTLIER -80.94 -16.54 53.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.0 p -105.38 -39.78 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.429 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -81.8 20.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.483 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 8.7 ptm -121.25 150.62 54.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 110.888 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.26 14.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.729 2.286 . . . . 0.0 112.331 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -51.38 173.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 16.2 t -67.47 110.29 3.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -46.7 -39.09 10.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -69.07 -70.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -55.99 -15.05 2.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.4 t -91.18 -30.38 16.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -101.67 -63.29 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -79.85 -30.46 40.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.51 34.04 51.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -150.24 113.04 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.902 0.382 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.5 t -139.43 121.67 15.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 75.5 p -95.94 38.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.833 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -111.43 111.18 22.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -74.03 -36.93 64.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -103.19 42.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.4 t -77.12 117.25 63.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.739 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 3.4 2.78 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.703 2.268 . . . . 0.0 112.377 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -101.49 171.09 7.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.5 mp -86.96 133.13 33.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 8.7 m170 -112.29 95.53 5.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 60.0 mt -109.5 143.17 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.403 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 5.0 t70 -60.02 139.71 90.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.604 0.716 . . . . 0.0 110.845 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.403 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 53.9 Cg_endo -69.74 2.41 3.55 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.428 ' HA ' ' CD1' ' A' ' 121' ' ' ILE . 13.6 mt-10 -105.54 -11.71 16.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.3 p -103.07 25.4 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -124.03 -19.94 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.428 ' CD1' ' HA ' ' A' ' 118' ' ' GLU . 3.8 mp -50.42 149.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -82.37 -55.02 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -38.16 -72.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.815 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.503 ' HB3' ' CD1' ' A' ' 126' ' ' TRP . 18.8 m -42.98 153.31 0.34 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.638 0.733 . . . . 0.0 110.853 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 0.72 5.26 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . 0.503 ' CD1' ' HB3' ' A' ' 124' ' ' CYS . 3.4 m95 -84.77 113.5 21.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.976 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.7 m -151.22 157.6 42.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.817 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 54.35 179.23 0.16 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -1.38 8.36 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.1 t -70.84 -53.55 14.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 79.7 p -39.37 -45.45 1.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.468 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 t -75.01 -54.1 7.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 110.862 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.2 p -95.89 26.78 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.92 124.17 9.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.3 t -69.74 78.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.5 m -159.78 122.23 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -142.28 105.39 0.41 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.473 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -56.61 -178.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.888 0.375 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.428 ' O ' ' CD1' ' A' ' 85' ' ' LEU . 29.7 mtpt -83.02 16.86 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 t -38.45 -36.87 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.1 t -92.3 144.96 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.6 t -88.55 124.36 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.1 t -41.62 137.05 1.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -88.11 -22.02 24.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -77.27 -52.4 9.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.564 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 11.4 t90 -55.21 -37.6 67.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.1 mt -50.88 -44.58 59.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.6 mmt-85 -98.41 17.15 19.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 59.35 50.84 63.44 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.1 mt -128.07 24.85 5.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.3 t -125.34 145.06 50.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -130.24 30.12 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -102.7 -40.48 6.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.13 -99.2 0.13 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -85.46 -3.89 58.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.727 0.299 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -96.57 -17.76 20.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.1 t -60.83 166.0 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.28 -2.87 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -119.89 166.26 13.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 15.2 mt -71.82 142.43 49.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.564 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 8.6 m170 -111.52 25.08 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -130.41 128.18 40.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.95 103.9 0.4 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.405 ' O ' ' HB3' ' A' ' 93' ' ' MET . 1.1 m-20 -123.93 110.36 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.5 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 0.0 OUTLIER -53.84 -13.36 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.2 p -102.53 -47.15 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.481 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 4.1 mmpt? -83.09 25.66 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.5 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 8.8 ptm -120.9 153.36 57.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.58 0.705 . . . . 0.0 110.886 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 135.06 29.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.726 2.284 . . . . 0.0 112.328 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -64.14 167.1 6.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.7 t -60.85 112.73 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -51.12 -33.02 24.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -70.61 -66.07 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -60.74 -15.82 33.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.5 t -92.0 -25.44 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -103.53 -64.07 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -82.85 -27.89 30.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 74.12 33.18 57.47 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -148.6 113.53 5.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.932 0.396 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.568 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.8 t -139.52 131.4 27.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.8 m -107.44 44.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -114.0 97.16 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -57.85 -29.26 64.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -119.49 48.14 1.57 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.7 t -74.07 121.66 85.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.58 0.705 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 3.69 2.61 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.698 2.265 . . . . 0.0 112.376 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -106.8 175.18 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.9 mp -90.68 137.03 32.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 9.4 m170 -113.15 95.35 5.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 116' ' ' ASP . 77.1 mt -108.35 141.65 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.448 ' N ' HG22 ' A' ' 115' ' ' ILE . 5.9 t70 -72.4 140.39 82.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 54.1 Cg_endo -69.78 3.15 2.95 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.724 2.283 . . . . 0.0 112.37 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -100.63 -19.22 16.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -89.07 -28.46 20.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -89.47 48.34 1.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 8.7 mm -109.32 141.41 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -103.32 -31.48 10.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -83.21 45.38 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 28.6 p -127.6 152.98 77.54 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.551 0.691 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.477 ' HG2' ' CZ3' ' A' ' 126' ' ' TRP . 53.5 Cg_endo -69.78 0.41 5.71 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . 0.477 ' CZ3' ' HG2' ' A' ' 125' ' ' PRO . 2.7 m95 -92.83 99.9 12.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.8 t -70.69 89.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.45 -150.47 45.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.456 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -13.56 34.82 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.3 m -113.68 130.06 56.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 80.7 p -105.84 106.42 16.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.51 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 m -128.16 173.28 10.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 110.872 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.3 m -90.75 -32.67 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.24 85.77 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.8 t -40.27 -43.69 1.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.2 p -42.92 119.87 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -111.51 108.76 2.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -78.69 178.26 8.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 66' ' ' VAL . 26.3 mtpt -69.7 0.55 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.51 HG22 ' N ' ' A' ' 66' ' ' VAL . 9.3 t -32.65 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.51 ' N ' HG22 ' A' ' 65' ' ' THR . 49.4 t -91.61 142.0 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.6 t -85.86 121.38 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.8 t -40.93 136.23 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.3 ptpp? -82.37 -29.21 31.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -71.47 -60.62 2.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.818 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.495 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 6.3 t90 -42.67 -40.43 2.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.5 mt -41.78 -65.67 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.46 ' CB ' HD23 ' A' ' 75' ' ' LEU . 9.4 mpt_? -86.62 11.96 11.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.438 ' C ' HD22 ' A' ' 75' ' ' LEU . . . 72.31 52.12 11.54 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.46 HD23 ' CB ' ' A' ' 73' ' ' ARG . 2.3 mm? -119.57 26.44 9.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.1 t -131.63 141.91 49.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -122.31 29.03 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -105.95 -63.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.498 ' HA2' ' CE1' ' A' ' 86' ' ' HIS . . . 81.94 -103.24 2.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -77.58 -9.84 59.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -94.96 -24.04 17.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 17.4 t -50.41 165.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.445 ' CD ' ' CE1' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -99.23 -11.22 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.445 ' CE1' ' CD ' ' A' ' 83' ' ' GLU . 97.1 m-85 -113.7 165.31 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.2 mt -72.87 143.83 47.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.498 ' CE1' ' HA2' ' A' ' 79' ' ' GLY . 13.9 m170 -110.93 25.39 11.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -126.47 135.8 51.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -78.03 103.32 7.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -126.5 124.42 40.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 80.6 mmm -64.34 -13.43 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 82.4 p -97.95 -53.54 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -64.12 -40.48 96.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 17.8 ptm -60.5 150.98 72.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.71 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.38 60.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.656 2.238 . . . . 0.0 112.384 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -78.47 169.03 18.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.471 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 12.8 t -57.69 115.44 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -51.7 -38.29 54.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -70.7 -64.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -58.82 -14.39 8.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.965 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.5 p -92.18 -34.37 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -93.55 -65.31 1.0 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -80.85 -34.57 33.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.42 35.57 25.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.44 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -150.35 111.93 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.552 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.3 t -139.5 131.72 28.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.7 t -107.07 40.18 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.431 ' CB ' ' HB2' ' A' ' 110' ' ' CYS . 8.8 m-20 -103.63 114.28 28.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -69.19 -41.98 76.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -110.83 46.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.431 ' HB2' ' CB ' ' A' ' 107' ' ' ASN . 2.0 t -73.14 116.55 51.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 7.54 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.716 2.278 . . . . 0.0 112.324 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.471 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 38.8 m-85 -109.84 149.84 29.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.7 mp -67.03 134.94 52.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.3 m170 -113.38 97.0 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 76.6 mt -109.06 140.78 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 4.8 t70 -63.61 141.19 97.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.634 0.73 . . . . 0.0 110.819 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 54.3 Cg_endo -69.76 1.82 4.09 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -97.01 -33.17 11.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.2 m -87.28 13.91 8.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -127.26 36.05 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.479 HG21 ' N ' ' A' ' 122' ' ' LYS . 35.7 mm -90.77 138.85 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.479 ' N ' HG21 ' A' ' 121' ' ' ILE . 4.2 tppt? -89.91 -46.79 8.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -100.63 56.7 0.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 21.0 p -87.11 142.09 33.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.544 ' HG2' ' CE3' ' A' ' 126' ' ' TRP . 53.6 Cg_endo -69.73 3.5 2.72 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.234 . . . . 0.0 112.328 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . 0.544 ' CE3' ' HG2' ' A' ' 125' ' ' PRO . 0.3 OUTLIER -137.07 115.93 12.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.955 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 86.5 p -105.43 119.75 39.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 101.85 -154.95 18.78 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -48.97 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.655 2.237 . . . . 0.0 112.384 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 80.9 p -135.62 151.93 50.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 93.0 p -75.23 99.64 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.495 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.0 t 58.89 42.21 20.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.855 0.36 . . . . 0.0 110.836 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.2 t -92.24 26.82 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.58 146.05 7.15 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -49.94 171.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.39 . . . . 0.0 110.825 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.2 m -130.47 86.53 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -150.64 41.49 0.78 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -88.82 -178.11 5.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.378 . . . . 0.0 110.923 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 66' ' ' VAL . 43.8 mtpt -72.25 2.2 6.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.486 ' C ' ' O ' ' A' ' 64' ' ' LYS . 4.7 t -31.29 -37.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 64' ' ' LYS . 42.6 t -87.24 138.17 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.3 t -83.05 124.2 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 15.0 t -41.4 141.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -88.17 -31.05 19.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -71.38 -57.52 4.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.44 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 7.2 t90 -47.08 -38.56 11.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.8 mt -44.88 -53.76 7.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -94.36 12.43 27.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.37 51.36 22.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.0 mp -124.89 31.48 5.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.8 t -134.43 132.56 39.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.92 25.68 11.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -100.98 -55.83 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.493 ' HA2' ' CE1' ' A' ' 86' ' ' HIS . . . 72.5 -98.17 0.82 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.68 -11.23 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -91.44 -23.87 19.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 15.6 t -50.02 163.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -100.82 1.08 39.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -123.52 168.21 12.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.438 ' CD1' ' HD3' ' A' ' 92' ' ' LYS . 21.2 mt -75.5 138.59 41.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.493 ' CE1' ' HA2' ' A' ' 79' ' ' GLY . 10.9 m170 -106.99 26.0 10.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -124.87 138.36 54.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -80.22 103.71 10.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -126.21 124.94 41.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -7.91 13.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.9 p -105.7 -54.46 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.446 ' NZ ' ' HA ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -64.18 -38.99 93.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 19.5 ptm -59.92 152.27 60.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.709 . . . . 0.0 110.88 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 156.18 64.09 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -75.68 161.69 28.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.4 t -53.05 112.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.63 -39.03 49.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -68.48 -66.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -58.89 -14.31 8.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.8 t -89.3 -36.71 15.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -94.81 -65.21 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -77.55 -36.19 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.429 ' C ' ' HG2' ' A' ' 104' ' ' GLU . . . 80.29 33.25 32.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.512 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.429 ' HG2' ' C ' ' A' ' 103' ' ' GLY . 36.8 mm-40 -147.71 112.1 5.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.556 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.3 t -139.47 116.98 11.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.8 p -90.72 42.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -120.07 97.82 5.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -61.91 -41.12 97.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -97.93 42.04 1.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.4 t -75.86 120.9 83.73 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.581 0.705 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 5.68 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.64 2.227 . . . . 0.0 112.375 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -107.85 161.62 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.3 mp -76.77 134.0 39.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.556 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.4 m170 -113.09 94.73 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 116' ' ' ASP . 78.4 mt -101.16 135.2 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.415 ' N ' HG23 ' A' ' 115' ' ' ILE . 4.7 t70 -65.02 139.81 97.9 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.854 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 1.97 3.99 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.656 2.238 . . . . 0.0 112.309 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -94.24 -27.73 16.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t -81.52 -34.43 31.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -84.46 82.99 8.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 14.5 mm -127.54 142.42 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.16 -40.93 3.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.17 -66.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.4 m -49.13 163.08 0.36 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.57 0.7 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 126' ' ' TRP . 53.5 Cg_endo -69.78 3.3 2.86 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.271 . . . . 0.0 112.349 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 125' ' ' PRO . 2.6 m95 -94.09 104.99 17.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.0 t -129.53 -46.3 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 164.86 -96.16 0.13 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -1.8 9.08 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 74.4 m -134.47 42.74 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 t -94.86 83.96 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.482 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.7 p -124.55 -43.79 2.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.904 0.383 . . . . 0.0 110.892 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 t -105.19 -30.52 9.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.13 160.29 24.38 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.532 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.7 p -95.23 171.37 8.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.38 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.5 p -76.46 145.1 39.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -111.19 63.81 0.27 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -58.94 -177.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.448 ' O ' ' CD1' ' A' ' 85' ' ' LEU . 40.9 mtpt -84.09 17.72 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -38.25 -35.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.4 t -95.82 141.08 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.168 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.4 t -85.13 126.85 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.8 t -41.31 138.38 1.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -88.73 -24.55 22.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -74.89 -55.59 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.559 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 4.7 t90 -52.02 -37.46 53.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.2 mt -49.88 -45.26 50.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -97.43 9.57 42.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.83 46.98 50.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.449 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.1 mt -124.19 29.76 6.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.3 t -134.24 146.47 50.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.06 37.61 3.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -104.86 -39.02 6.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.6 -109.1 2.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.5 -4.2 58.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.773 0.32 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -89.25 -24.17 22.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 7.0 t -49.0 164.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.71 -1.25 43.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -125.05 170.78 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 16.3 mt -76.44 132.95 39.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.559 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 10.8 m170 -102.94 22.12 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -126.48 126.76 44.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -61.97 103.87 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -125.88 103.54 7.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.476 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 0.6 OUTLIER -46.99 -20.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.7 p -92.95 -45.01 8.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.478 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 4.7 mmpt? -87.33 26.09 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.476 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 10.1 ptm -120.26 150.89 52.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.901 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 134.31 27.73 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.668 2.245 . . . . 0.0 112.382 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.4 mp0 -62.61 174.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.0 t -65.14 115.64 5.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 1.2 t80 -53.25 -32.93 50.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -72.68 -64.35 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -60.98 -17.76 53.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.1 p -89.55 -24.2 21.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -105.06 -63.99 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -82.54 -32.75 28.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.31 33.11 36.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -149.17 113.42 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.552 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.39 126.45 21.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 91.4 p -98.79 43.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -112.68 95.18 5.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -55.67 -41.79 74.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -108.43 47.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.97 120.57 80.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.733 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 3.64 2.66 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -104.36 179.71 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.437 HD13 ' N ' ' A' ' 113' ' ' LEU . 5.3 mp -97.66 136.09 38.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 15.1 m170 -111.77 99.92 8.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 58.8 mt -104.73 135.04 44.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.18 138.39 88.23 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -2.84 10.83 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -100.9 -21.58 15.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.0 m -94.34 7.3 45.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -116.19 -11.19 11.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.406 HG21 ' N ' ' A' ' 122' ' ' LYS . 31.9 mm -42.87 134.36 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.406 ' N ' HG21 ' A' ' 121' ' ' ILE . 10.0 tppt? -76.82 -42.05 41.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -82.03 52.55 2.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 17.1 m -161.14 145.43 10.17 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.565 0.698 . . . . 0.0 110.908 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.454 ' HG2' ' CZ3' ' A' ' 126' ' ' TRP . 53.9 Cg_endo -69.72 -4.61 14.35 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . 0.454 ' CZ3' ' HG2' ' A' ' 125' ' ' PRO . 2.8 m95 -85.66 101.22 12.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 128' ' ' GLY . 89.9 p -175.14 178.24 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 127' ' ' SER . . . 34.78 -118.97 0.3 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -39.08 6.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.8 t -63.22 -175.26 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.0 p 65.67 30.32 10.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.48 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.5 t -98.56 143.31 29.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.381 . . . . 0.0 110.853 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.5 t -111.74 26.46 10.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.83 56.9 0.49 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.516 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.5 p -86.66 93.63 9.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.915 0.388 . . . . 0.0 110.862 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.7 p -82.42 99.96 9.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.25 170.68 16.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -72.66 -176.85 2.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 65' ' ' THR . 33.6 mtpt -68.17 -1.15 5.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.459 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.7 t -33.43 -36.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 64' ' ' LYS . 39.8 t -88.73 140.46 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 82.8 t -82.81 133.02 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 9.4 t -51.74 141.91 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.29 -21.17 24.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -79.24 -57.49 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.457 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 8.0 t90 -49.82 -37.5 30.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.5 mt -45.82 -47.28 15.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -104.55 16.06 26.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.22 51.08 40.7 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.463 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.426 HD11 ' N ' ' A' ' 75' ' ' LEU . 7.2 mp -121.85 24.03 9.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.879 0.371 . . . . 0.0 110.927 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.35 153.57 46.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -134.35 26.13 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.466 ' O ' ' NE2' ' A' ' 81' ' ' GLN . 49.6 mtpt -99.25 -42.16 7.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.61 -112.27 3.65 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.425 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -85.83 -2.54 58.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.751 0.31 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 78' ' ' LYS . 2.3 mp0 -92.3 -22.96 19.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.459 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . 17.4 t -48.71 160.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.52 0.34 57.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -126.14 167.46 15.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 12.3 mt -76.03 136.38 39.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.457 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 17.6 m170 -106.63 25.42 11.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.423 ' CD ' ' HB2' ' A' ' 89' ' ' ASP . 0.3 OUTLIER -130.19 121.39 26.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.873 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -61.46 104.13 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.423 ' HB2' ' CD ' ' A' ' 87' ' ' GLU . 6.0 t0 -126.18 107.08 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 58.4 mmm -44.24 -22.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.401 ' N ' ' C ' ' A' ' 89' ' ' ASP . 41.7 p -92.48 -50.43 5.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 7.8 mmpt? -83.06 29.92 0.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.462 ' CG ' HD13 ' A' ' 113' ' ' LEU . 10.0 ptm -119.8 152.88 54.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.711 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 128.29 15.83 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -55.78 169.15 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.2 t -61.12 112.58 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.515 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -51.21 -32.68 24.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -73.04 -63.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -63.44 -15.0 56.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.0 t -91.5 -27.13 18.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.8 -64.14 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.965 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -80.51 -29.84 37.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.3 29.58 59.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -145.43 112.73 6.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.849 0.357 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.3 t -139.46 116.08 10.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.4 m -91.9 40.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.792 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -104.5 123.08 46.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -80.79 -39.92 25.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -111.49 46.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.6 t -72.57 117.38 58.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.46 2.73 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.646 2.23 . . . . 0.0 112.36 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -104.07 167.52 9.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.462 HD13 ' CG ' ' A' ' 93' ' ' MET . 5.2 mp -83.98 136.83 33.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.9 m170 -113.43 99.03 7.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 59.2 mt -113.79 137.15 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.42 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 4.5 t70 -72.91 141.15 81.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.678 0.751 . . . . 0.0 110.832 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 54.1 Cg_endo -69.76 3.13 2.95 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.645 2.23 . . . . 0.0 112.375 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -98.15 -41.42 7.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.4 t -58.74 -24.23 61.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -92.04 49.03 1.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 66.3 mt -144.23 138.54 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 124' ' ' CYS . 3.8 tppp? -91.86 -66.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.96 76.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 122' ' ' LYS . 7.1 p -138.94 150.14 64.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 0.0 110.866 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.562 ' HG2' ' CE3' ' A' ' 126' ' ' TRP . 53.9 Cg_endo -69.8 1.66 4.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . 0.562 ' CE3' ' HG2' ' A' ' 125' ' ' PRO . 0.2 OUTLIER -132.95 107.72 8.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 65.6 m -54.54 177.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.47 ' N ' ' HD2' ' A' ' 129' ' ' PRO . . . -63.4 -59.16 9.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 128' ' ' GLY . 53.9 Cg_endo -69.72 -46.47 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.252 . . . . 0.0 112.381 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 131' ' ' SER . 31.3 t -173.85 143.46 0.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 130' ' ' SER . 13.2 t -34.68 -54.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.503 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.5 m -59.08 110.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.91 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.9 m -94.75 25.53 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.84 168.98 28.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.3 t -77.26 132.39 38.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 110.844 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 80.9 p -59.79 144.43 48.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.15 28.49 25.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.537 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -67.08 -178.13 0.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 66' ' ' VAL . 29.0 mtpt -79.31 12.85 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.8 t -36.78 -29.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 64' ' ' LYS . 24.5 t -104.91 147.68 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.1 t -86.7 131.21 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 9.3 t -48.54 135.86 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -86.73 -20.18 28.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -79.46 -50.24 11.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.497 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 10.5 t90 -55.62 -37.36 68.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.494 HD22 ' CZ3' ' A' ' 71' ' ' TRP . 40.6 mt -47.78 -51.05 23.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.4 mtt180 -93.52 15.66 15.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.91 51.61 55.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 80.9 mt -125.31 23.27 7.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.0 t -125.54 147.46 49.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.412 ' O ' ' HD2' ' A' ' 77' ' ' LYS . 0.3 OUTLIER -131.65 35.6 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -107.18 -38.89 5.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.84 -93.03 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -92.43 -2.04 56.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.73 0.3 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -98.36 -15.96 19.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 6.4 t -60.95 165.81 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.477 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 0.9 OUTLIER -103.36 -5.01 23.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.477 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 96.9 m-85 -118.23 163.38 16.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.49 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 20.5 mt -70.2 137.74 51.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.497 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 9.7 m170 -106.8 17.16 23.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -118.15 126.92 53.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.55 104.82 0.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.417 ' O ' ' HB3' ' A' ' 93' ' ' MET . 1.6 m-20 -120.7 144.84 48.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.486 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 0.9 OUTLIER -84.51 -18.96 34.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.1 p -104.94 -39.83 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.49 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 6.4 mmpt? -80.89 18.59 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.486 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 20.4 ptm -121.27 150.23 53.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.561 0.696 . . . . 0.0 110.885 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 138.87 38.76 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.378 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -57.25 168.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 23.1 t -55.7 114.27 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -49.32 -34.59 15.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -72.62 -66.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -58.14 -18.02 22.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.8 t -91.55 -23.04 20.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -104.9 -65.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -82.64 -28.24 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 74.82 31.64 57.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -148.65 113.55 5.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.566 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.7 t -139.46 125.05 19.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.5 p -101.91 45.06 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -109.08 124.55 50.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -82.88 -27.94 30.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -122.56 44.84 2.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.9 t -69.69 119.25 69.85 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.666 0.746 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 4.05 2.41 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.653 2.235 . . . . 0.0 112.372 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -106.14 179.18 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.8 mp -96.18 137.72 34.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 10.2 m170 -112.79 95.85 5.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 79.9 mt -105.91 132.42 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.416 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 5.9 t70 -70.04 140.57 88.5 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.61 0.719 . . . . 0.0 110.837 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 54.1 Cg_endo -69.79 2.22 3.75 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.318 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -104.79 -18.1 14.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.9 p -83.99 -30.56 26.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -85.47 38.81 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 25.1 mm -105.12 134.7 45.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -52.37 8.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -48.29 -55.36 10.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.8 m -45.37 156.14 0.41 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.604 0.716 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.481 ' HG2' ' CZ3' ' A' ' 126' ' ' TRP . 53.8 Cg_endo -69.76 -18.12 37.18 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.244 . . . . 0.0 112.345 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . 0.481 ' CZ3' ' HG2' ' A' ' 125' ' ' PRO . 2.5 m95 -63.55 118.32 8.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.5 t -94.72 62.29 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 102.59 -161.56 16.87 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -5.45 16.21 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.734 2.29 . . . . 0.0 112.329 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 71.0 m -137.27 106.44 6.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.8 m -88.82 42.63 1.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.15 -0.805 . . . . 0.0 112.507 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.2 m -50.08 168.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.864 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.5 m -94.15 26.72 3.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.816 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.61 92.31 0.13 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.2 m -108.56 80.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.88 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.2 m -138.1 151.65 48.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -127.33 79.73 0.37 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -52.32 177.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.963 0.411 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 65' ' ' THR . 40.5 mtpt -71.72 1.2 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.932 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.467 ' C ' ' O ' ' A' ' 64' ' ' LYS . 9.8 t -32.32 -41.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.6 t -84.86 134.34 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 18.1 t -80.47 124.48 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.6 t -41.27 143.84 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -88.84 -31.8 18.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -69.85 -60.14 2.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.559 ' CZ3' HD23 ' A' ' 72' ' ' LEU . 3.1 t90 -43.62 -38.02 2.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.559 HD23 ' CZ3' ' A' ' 71' ' ' TRP . 35.3 mt -46.76 -47.72 20.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -100.9 14.41 31.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 66.56 47.14 71.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.474 ' N ' HD12 ' A' ' 75' ' ' LEU . 9.6 mp -118.96 25.82 9.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.71 142.61 50.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -125.71 29.67 5.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -100.3 -42.76 6.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.84 -108.83 2.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -83.4 0.08 47.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -97.29 -19.92 18.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.7 t -55.37 164.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.404 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -96.72 -8.2 31.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.404 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 97.4 m-85 -116.52 166.47 12.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.48 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 11.3 mt -72.5 134.51 45.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.492 ' N ' ' OE2' ' A' ' 87' ' ' GLU . 9.4 m170 -104.2 30.03 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.492 ' OE2' ' N ' ' A' ' 86' ' ' HIS . 1.7 pm0 -137.33 126.2 24.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.24 103.98 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.95 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 91' ' ' THR . 16.7 m-20 -125.09 101.85 7.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -41.67 -25.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 89' ' ' ASP . 35.2 p -87.78 -46.01 9.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.48 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 3.7 mmpt? -89.61 31.87 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 94' ' ' PRO . 0.5 OUTLIER -120.12 154.97 56.07 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.529 0.681 . . . . 0.0 110.88 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.41 ' O ' ' SD ' ' A' ' 93' ' ' MET . 54.4 Cg_endo -69.73 113.54 3.4 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.422 ' CB ' ' HB2' ' A' ' 113' ' ' LEU . 27.0 mp0 -50.65 175.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.476 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 12.6 t -64.62 106.58 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -47.06 -37.24 9.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -69.51 -63.6 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -63.02 -14.98 54.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.2 t -91.25 -26.74 18.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.94 -63.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -80.44 -30.62 37.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.65 34.16 49.95 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -148.97 111.88 4.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.0 t -139.59 128.78 23.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.8 p -102.47 43.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.444 ' CB ' ' HB2' ' A' ' 110' ' ' CYS . 17.4 m-20 -110.37 113.81 26.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -69.15 -44.31 72.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -108.57 47.28 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.444 ' HB2' ' CB ' ' A' ' 107' ' ' ASN . 4.1 t -72.95 117.15 57.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 4.67 2.06 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.653 2.235 . . . . 0.0 112.317 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.476 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 36.4 m-85 -105.25 160.04 15.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.422 ' HB2' ' CB ' ' A' ' 95' ' ' GLU . 5.7 mp -78.68 137.68 37.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 10.7 m170 -112.78 97.56 6.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 74.6 mt -106.59 132.75 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.412 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 2.5 t70 -69.28 140.22 90.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 53.2 Cg_endo -69.78 3.0 3.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.718 2.278 . . . . 0.0 112.332 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -102.8 -31.42 10.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.3 m -72.3 -38.12 68.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -66.77 -21.32 66.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.943 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.1 mm -43.58 146.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 123' ' ' ASP . 29.1 tttt -89.19 -56.2 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 122' ' ' LYS . 78.0 m-20 -35.28 -42.83 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 9.4 m -54.83 159.08 3.91 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.629 0.728 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 0.81 5.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.314 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -88.95 135.23 33.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 75.7 p -76.78 -52.39 9.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 159.28 -86.65 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -42.72 3.15 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.325 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 93.4 p -101.76 79.54 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.0 p -161.08 168.27 24.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.48 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.4 m -88.0 83.92 7.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 110.857 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.9 m -80.41 -32.92 37.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.95 50.41 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.9 t -113.0 121.11 43.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.8 p -118.74 109.38 16.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.22 66.04 0.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -68.94 174.47 4.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 65' ' ' THR . 36.1 mtpt -67.75 -2.79 7.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 64' ' ' LYS . 7.3 t -33.16 -42.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.1 t -86.93 141.88 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.0 t -84.56 126.31 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.7 t -43.15 138.55 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -88.26 -23.79 23.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -77.61 -55.13 5.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.6 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 7.6 t90 -49.86 -35.87 24.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.6 mt -47.29 -47.14 25.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -101.08 16.99 23.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 60.97 52.11 54.39 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.4 mt -127.08 25.91 6.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 6.3 t -117.09 143.59 45.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.409 ' O ' ' HD2' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -123.35 34.24 5.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.49 ' O ' ' NE2' ' A' ' 81' ' ' GLN . 37.6 mttp -113.54 -48.01 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.65 -111.09 3.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.429 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -76.42 -11.37 59.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.757 0.313 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 78' ' ' LYS . 3.4 mp0 -87.87 -23.97 23.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.7 t -48.73 155.67 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.473 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 0.8 OUTLIER -93.68 -5.79 47.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.473 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 97.2 m-85 -116.91 162.44 17.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.7 mt -68.73 138.26 54.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.6 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 8.2 m170 -106.0 16.21 25.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.428 ' OE1' ' N ' ' A' ' 86' ' ' HIS . 1.6 pm0 -120.95 134.37 55.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -69.66 104.76 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 93' ' ' MET . 7.9 m-20 -120.54 114.7 22.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.838 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.401 ' HA ' ' CE ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -55.02 -11.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.4 ' H ' ' C ' ' A' ' 89' ' ' ASP . 31.7 p -103.94 -53.79 2.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.105 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -35.14 79.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.407 ' HB3' ' O ' ' A' ' 89' ' ' ASP . 0.2 OUTLIER -59.97 149.39 73.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 123.37 10.02 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.716 2.277 . . . . 0.0 112.288 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.414 ' HA ' ' CD1' ' A' ' 113' ' ' LEU . 5.7 mp0 -55.01 166.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.5 t -55.08 106.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -48.78 -33.96 11.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -70.88 -59.43 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.86 -14.93 63.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.9 t -89.65 -27.41 20.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -103.05 -64.16 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -81.13 -31.23 34.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.78 36.64 41.79 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -150.03 112.26 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.568 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.39 117.99 12.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -90.52 43.61 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -116.77 126.2 52.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -85.19 -43.47 13.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -100.43 41.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 5.6 t -72.05 116.44 48.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.675 0.75 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 5.05 1.86 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.311 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -102.29 175.95 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.414 ' CD1' ' HA ' ' A' ' 95' ' ' GLU . 5.4 mp -93.09 135.39 34.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 11.8 m170 -112.88 104.15 12.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 65.5 mt -120.2 128.03 75.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.416 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 4.1 t70 -65.63 140.32 97.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 53.4 Cg_endo -69.81 1.38 4.52 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.719 2.279 . . . . 0.0 112.302 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.457 ' O ' ' CD1' ' A' ' 121' ' ' ILE . 14.1 mt-10 -103.21 -23.39 13.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.5 m -95.42 22.47 6.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -126.13 30.13 5.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.457 ' CD1' ' O ' ' A' ' 118' ' ' GLU . 4.8 mp -115.05 141.2 32.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 123' ' ' ASP . 0.0 OUTLIER -112.15 -42.94 3.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.469 ' N ' ' HD3' ' A' ' 122' ' ' LYS . 33.8 t70 -44.37 -38.51 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 123' ' ' ASP . 20.2 p -37.89 145.14 0.32 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.628 0.728 . . . . 0.0 110.843 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -33.53 16.42 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.669 2.246 . . . . 0.0 112.329 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -38.99 102.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.7 m -159.05 176.11 12.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.74 -162.64 25.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.38 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.655 2.237 . . . . 0.0 112.333 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.6 t -98.79 82.29 2.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 77.7 p -97.19 83.71 3.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.495 -179.95 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.964 0.411 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.589 ' O ' HD12 ' A' ' 85' ' ' LEU . 37.4 mtpt -76.91 7.85 4.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.5 t -36.65 -36.83 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.0 t -93.13 141.77 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 85' ' ' LEU . 77.9 t -84.65 128.34 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 t -45.9 137.28 5.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.471 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -89.24 -18.25 27.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -81.08 -48.61 11.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.529 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 22.6 t90 -56.94 -38.08 72.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 69' ' ' LYS . 60.3 mt -48.65 -51.15 29.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -90.41 16.57 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 60.56 48.28 86.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.8 mt -123.66 27.77 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.2 t -130.76 137.55 49.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.63 29.42 7.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.433 ' O ' ' NE2' ' A' ' 81' ' ' GLN . 29.0 mtpp -100.45 -45.11 5.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 70.37 -111.39 3.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.523 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -81.14 -5.08 57.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.765 0.317 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.506 ' N ' ' CD ' ' A' ' 81' ' ' GLN . 1.9 mp0 -91.56 -23.47 19.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 12.3 t -48.95 166.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.35 2.85 45.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -129.86 168.05 17.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 64' ' ' LYS . 17.8 mt -74.38 138.26 43.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.529 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 12.1 m170 -106.9 24.8 12.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -122.98 134.58 54.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -74.82 103.86 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -125.31 130.97 53.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.498 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 3.1 mmt -69.38 -10.8 59.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 50.6 p -104.15 -50.01 3.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.477 ' HD3' ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -65.24 -41.75 94.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.498 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 13.8 ptm -62.55 150.43 86.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.541 0.686 . . . . 0.0 110.886 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 173.32 11.18 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 95' ' ' GLU . 1.6 mp0 -89.3 176.66 6.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 47.1 t -69.64 108.23 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -47.04 -33.84 5.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -71.04 -60.02 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -65.73 -15.61 62.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.928 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.2 t -91.06 -27.28 18.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.578 ' HD2' ' CD1' ' A' ' 102' ' ' PHE . 4.1 tmtt? -103.4 -63.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.944 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.578 ' CD1' ' HD2' ' A' ' 101' ' ' LYS . 2.7 m-85 -79.74 -30.86 40.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.18 30.41 58.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -148.71 113.19 5.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.956 0.408 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 5.6 t -139.6 115.2 10.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.7 t -89.74 45.23 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -110.15 125.05 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -86.02 -26.51 25.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -123.35 44.15 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.5 t -72.02 120.29 79.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.65 2.67 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.647 2.232 . . . . 0.0 112.321 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -105.91 166.38 10.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.3 mp -82.88 136.55 34.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 8.7 m170 -113.13 99.53 7.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 72.3 mt -109.67 132.77 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.7 t70 . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 0.0 110.862 179.883 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.912 0.387 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.637 ' O ' HD12 ' A' ' 85' ' ' LEU . 36.7 mtpt -74.66 7.8 2.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' LYS . 2.8 t -36.16 -32.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' LYS . 20.8 t -96.54 141.22 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.3 t -83.38 126.74 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.5 t -42.65 139.87 1.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.759 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -89.3 -22.37 22.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.954 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.419 ' ND1' ' HG2' ' A' ' 69' ' ' LYS . 8.1 m80 -78.58 -53.88 6.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -51.51 -37.55 49.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 69' ' ' LYS . 31.8 mt -46.76 -51.64 15.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -95.88 16.62 17.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.44 51.9 48.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 70.8 mt -124.53 28.53 6.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -133.38 148.37 51.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.92 26.45 3.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -97.09 -35.42 10.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.33 -102.47 0.54 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.498 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -90.51 2.41 55.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.749 0.309 . . . . 0.0 110.825 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -97.71 -18.79 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.8 t -58.51 160.03 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.69 -2.08 56.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -123.32 167.8 13.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.637 HD12 ' O ' ' A' ' 64' ' ' LYS . 12.1 mt -72.27 143.05 48.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -112.37 26.74 10.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -134.26 126.89 30.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -61.92 103.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -126.4 106.42 9.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.828 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 64.0 mmm -51.78 -16.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 32.8 p -97.31 -29.79 13.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.489 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -105.31 25.31 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.4 ptm -118.38 152.32 50.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.553 0.692 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 134.93 29.09 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.405 ' CD ' ' H ' ' A' ' 95' ' ' GLU . 11.3 mp0 -61.83 173.35 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 15.4 t -61.39 111.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.455 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -47.54 -36.64 10.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -70.67 -66.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -59.92 -15.03 18.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.9 t -90.88 -26.89 19.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -103.46 -64.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -81.24 -28.68 34.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.403 ' C ' ' HG2' ' A' ' 104' ' ' GLU . . . 74.09 32.48 58.46 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.512 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.403 ' HG2' ' C ' ' A' ' 103' ' ' GLY . 21.5 mm-40 -146.67 111.95 5.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.379 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.3 t -139.66 122.96 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.4 p -98.06 41.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -105.14 127.08 52.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -82.61 -42.15 18.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -110.91 46.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.6 t -72.4 118.0 63.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.6 0.714 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 3.68 2.65 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -105.41 159.28 16.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.427 ' H ' HD12 ' A' ' 113' ' ' LEU . 5.5 mp -76.69 135.78 39.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.5 m170 -112.7 95.81 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 74.4 mt -108.09 137.66 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.843 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.557 ' O ' HD12 ' A' ' 85' ' ' LEU . 39.1 mtpt -69.94 0.24 6.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.9 t -33.49 -38.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 64' ' ' LYS . 21.3 t -89.08 143.95 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.4 t -82.98 134.63 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.2 t -53.59 139.76 30.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.601 ' HA ' HD12 ' A' ' 72' ' ' LEU . 15.6 ptpt -85.76 -26.88 25.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -73.69 -53.4 10.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -51.18 -38.6 53.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 69' ' ' LYS . 45.9 mt -48.77 -50.05 35.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -93.84 20.57 7.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.31 51.97 50.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.515 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.7 mt -126.38 24.55 6.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.347 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 t -127.48 141.4 51.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -126.87 32.06 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -100.07 -34.08 10.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.43 -116.18 8.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.63 9.9 12.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -103.05 -21.92 13.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 12.1 t -51.13 163.92 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.52 -0.26 57.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -127.05 169.17 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 64' ' ' LYS . 13.8 mt -74.62 135.77 42.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.463 ' N ' ' OE2' ' A' ' 87' ' ' GLU . 12.2 m170 -105.13 21.6 16.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.463 ' OE2' ' N ' ' A' ' 86' ' ' HIS . 1.7 pm0 -125.07 133.79 52.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -73.43 107.59 5.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -125.89 135.78 52.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.52 ' O ' HD21 ' A' ' 113' ' ' LEU . 0.1 OUTLIER -72.45 -11.78 60.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.0 p -104.46 -53.36 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.519 ' HD3' HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -59.16 -45.39 91.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 14.9 ptm -60.57 154.41 55.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.534 0.683 . . . . 0.0 110.926 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 169.62 18.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.712 2.275 . . . . 0.0 112.35 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.484 ' N ' ' CD ' ' A' ' 95' ' ' GLU . 2.2 mp0 -93.52 168.21 11.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 100' ' ' SER . 3.4 t -63.46 116.81 5.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -54.16 -37.13 64.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -65.99 -69.05 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -59.12 -14.71 11.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 32.1 t -90.83 -28.31 18.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -102.67 -64.99 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -80.48 -27.85 37.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.33 35.35 56.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.459 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -149.05 112.44 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.927 0.394 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.5 t -139.55 120.54 14.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 58.0 m -94.86 39.33 1.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -112.26 114.68 27.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -75.11 -39.9 60.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -102.48 43.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.7 t -74.89 116.63 55.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.651 0.739 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 4.33 2.26 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.642 2.228 . . . . 0.0 112.318 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -105.3 167.25 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.52 HD21 ' O ' ' A' ' 90' ' ' MET . 5.6 mp -84.61 137.26 33.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.573 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 9.5 m170 -112.44 97.83 6.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 75.8 mt -100.47 131.47 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 110.84 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.896 0.379 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.503 ' O ' HD12 ' A' ' 85' ' ' LEU . 19.8 mtpt -72.64 2.48 6.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -32.46 -37.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 64' ' ' LYS . 38.3 t -85.42 135.04 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.083 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.7 t -78.6 132.2 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.5 t -53.81 137.49 38.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.797 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -84.07 -19.71 33.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -79.26 -57.35 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.407 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 6.3 t90 -48.95 -38.29 22.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.797 HD12 ' HA ' ' A' ' 69' ' ' LYS . 35.8 mt -45.35 -63.73 0.88 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -83.41 7.89 15.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.74 50.96 27.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.3 mp -120.95 19.64 11.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.18 151.81 36.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -134.4 22.46 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -93.55 -43.4 8.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.07 -99.67 0.88 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -95.04 4.7 53.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.784 0.326 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -101.08 -18.43 16.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 9.2 t -54.16 163.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.8 -0.17 43.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -124.99 165.68 17.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 64' ' ' LYS . 13.8 mt -71.73 137.51 47.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.407 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 11.1 m170 -104.84 18.12 22.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -118.85 140.45 49.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -81.58 103.5 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -126.29 122.46 35.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.845 ' O ' HD21 ' A' ' 113' ' ' LEU . 91.8 mmm -64.76 -7.62 11.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.1 p -103.19 -51.89 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.461 ' HD3' HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -68.04 -38.0 81.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.3 ptm -62.98 150.25 88.59 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.19 57.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.368 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.429 ' HG2' ' CD1' ' A' ' 115' ' ' ILE . 6.2 mp0 -83.53 165.31 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 100' ' ' SER . 3.3 t -52.01 117.83 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.537 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -55.27 -30.35 59.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -74.47 -65.22 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -61.81 -14.94 37.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 47.3 t -91.43 -29.04 17.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -100.81 -64.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -79.79 -32.62 40.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.52 30.76 43.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -145.54 111.98 5.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.2 t -139.66 116.61 11.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 t -92.9 44.18 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.4 ' CB ' ' HB2' ' A' ' 110' ' ' CYS . 86.9 m-20 -107.88 127.88 54.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -82.05 -45.9 14.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -109.82 47.83 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.4 ' HB2' ' CB ' ' A' ' 107' ' ' ASN . 5.7 t -70.49 118.85 68.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.644 0.735 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.56 2.71 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -107.43 155.64 19.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.845 HD21 ' O ' ' A' ' 90' ' ' MET . 5.1 mp -73.64 138.02 44.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.573 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.3 m170 -112.93 99.35 7.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.429 ' CD1' ' HG2' ' A' ' 95' ' ' GLU . 57.4 mt -109.45 139.26 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.586 0.708 . . . . 0.0 110.829 179.872 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.471 ' HG2' HG22 ' A' ' 65' ' ' THR . 15.8 pm0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.961 0.41 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.531 ' O ' HD12 ' A' ' 85' ' ' LEU . 37.5 mtpt -72.13 -0.69 12.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.471 HG22 ' HG2' ' A' ' 63' ' ' GLU . 10.1 t -33.64 -36.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' LYS . 42.9 t -88.09 138.49 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.2 t -82.91 126.77 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 9.4 t -45.44 132.22 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.561 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -85.06 -12.2 53.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -87.33 -50.7 6.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.476 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 5.0 t90 -57.46 -35.85 70.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 69' ' ' LYS . 36.7 mt -47.0 -50.62 18.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.545 ' HB2' HD13 ' A' ' 75' ' ' LEU . 78.5 mtm-85 -94.04 10.18 34.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.579 ' C ' HD12 ' A' ' 75' ' ' LEU . . . 69.51 50.66 30.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.454 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.579 HD12 ' C ' ' A' ' 74' ' ' GLY . 10.4 mp -124.07 27.36 7.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.902 0.382 . . . . 0.0 110.944 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.9 t -126.86 150.15 49.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.92 21.73 4.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -94.1 -48.1 6.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.49 -97.8 0.89 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -93.9 -0.49 55.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -96.86 -23.97 16.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.6 t -49.74 166.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.406 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -100.76 -2.88 31.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.406 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 95.6 m-85 -121.05 164.0 17.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 64' ' ' LYS . 16.3 mt -72.01 142.06 49.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.476 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 11.6 m170 -109.43 20.1 18.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.428 ' CD ' ' HB2' ' A' ' 89' ' ' ASP . 0.3 OUTLIER -119.46 135.3 54.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -73.06 105.72 4.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.428 ' HB2' ' CD ' ' A' ' 87' ' ' GLU . 2.5 t0 -126.16 122.89 36.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.05 -12.58 19.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.9 p -104.13 -50.79 3.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -43.36 84.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 13.9 ptm -59.72 148.69 74.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.558 0.695 . . . . 0.0 110.896 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 174.19 9.89 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.617 ' HG2' HD12 ' A' ' 115' ' ' ILE . 34.0 mp0 -85.41 169.6 13.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.0 t -58.45 124.25 18.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -57.64 -32.88 67.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -71.86 -70.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -53.38 -17.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.964 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 86.6 p -91.25 -29.88 16.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -101.67 -63.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -78.67 -29.96 45.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.28 30.39 58.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -149.5 113.12 5.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.939 0.4 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 5.1 t -139.53 114.75 9.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.2 t -90.84 40.78 1.03 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -117.17 98.74 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -64.25 -37.11 86.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -101.91 42.64 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.7 t -74.56 124.47 89.78 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.644 0.735 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 2.95 3.05 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.678 2.252 . . . . 0.0 112.399 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -107.5 174.54 5.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.5 mp -91.68 136.06 33.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 12.8 m170 -112.44 105.13 13.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.617 HD12 ' HG2' ' A' ' 95' ' ' GLU . 62.7 mt -117.82 139.21 45.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 0.0 110.863 179.869 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.958 0.409 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 66' ' ' VAL . 39.1 mtpt -68.83 0.03 4.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 64' ' ' LYS . 3.5 t -32.61 -35.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 64' ' ' LYS . 35.5 t -87.77 141.29 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.0 t -84.65 127.58 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.0 t -51.11 119.1 3.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.519 ' HA ' HD12 ' A' ' 72' ' ' LEU . 3.4 ptpt -70.87 -20.19 62.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -78.08 -58.92 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.837 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.521 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 6.7 t90 -47.71 -36.67 11.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 69' ' ' LYS . 33.9 mt -46.66 -56.76 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.409 ' C ' HD12 ' A' ' 75' ' ' LEU . 16.7 mmm-85 -92.25 12.78 21.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.06 51.92 26.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.409 HD12 ' C ' ' A' ' 73' ' ' ARG . 6.8 mp -119.91 23.38 11.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.9 t -126.72 151.87 47.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.02 24.13 3.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -98.57 -55.04 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.56 -107.88 2.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -82.31 -6.67 59.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.728 0.299 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.461 ' N ' ' CD ' ' A' ' 81' ' ' GLN . 1.7 mp0 -92.45 -23.72 19.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 12.0 t -48.65 165.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.74 0.63 39.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -125.22 165.5 18.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 64' ' ' LYS . 16.9 mt -73.67 138.49 44.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.521 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 12.3 m170 -105.69 22.66 15.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -123.47 137.08 54.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -76.51 103.72 6.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -126.39 134.37 51.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.806 ' O ' HD21 ' A' ' 113' ' ' LEU . 74.7 mmm -75.58 -11.13 59.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.1 p -103.84 -26.12 12.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -93.19 -42.11 9.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 15.4 ptm -60.08 153.37 56.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.646 0.736 . . . . 0.0 110.868 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 159.55 52.97 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.473 ' HG2' HD12 ' A' ' 115' ' ' ILE . 33.8 mp0 -81.01 173.17 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.422 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 7.9 t -64.1 115.86 5.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -51.49 -41.95 61.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -61.88 -62.04 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -60.35 -22.04 62.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.9 t -91.93 -13.29 31.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.594 ' HG3' ' CD2' ' A' ' 102' ' ' PHE . 2.7 tppt? -104.79 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.594 ' CD2' ' HG3' ' A' ' 101' ' ' LYS . 9.4 m-85 -94.7 -26.59 16.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.0 30.3 43.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -141.24 112.06 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.935 0.397 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.6 t -139.47 124.22 18.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.0 m -100.56 43.33 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -118.68 111.71 18.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -40.22 64.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -100.42 41.12 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.4 t -72.22 121.03 83.61 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 3.34 2.83 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.713 2.276 . . . . 0.0 112.34 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.422 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 20.7 m-85 -109.59 157.4 19.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.806 HD21 ' O ' ' A' ' 90' ' ' MET . 5.1 mp -75.09 138.51 42.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.1 m170 -113.05 96.42 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.809 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.473 HD12 ' HG2' ' A' ' 95' ' ' GLU . 82.2 mt -101.36 129.19 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.819 179.9 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.955 0.407 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.543 ' O ' HD12 ' A' ' 85' ' ' LEU . 39.5 mtpt -74.01 2.6 8.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.9 t -33.36 -36.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 64' ' ' LYS . 14.8 t -90.04 141.87 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 64.6 t -86.2 126.33 40.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.1 t -44.89 118.98 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.763 ' HA ' HD12 ' A' ' 72' ' ' LEU . 10.7 ptmt -69.27 -22.15 63.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.442 ' ND1' ' HG2' ' A' ' 69' ' ' LYS . 2.4 m80 -78.13 -66.33 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.601 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 3.4 t90 -40.41 -36.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' A' ' 69' ' ' LYS . 31.5 mt -43.44 -61.94 1.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.465 ' HB2' HD13 ' A' ' 75' ' ' LEU . 20.2 mtt85 -86.27 12.55 9.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.418 ' C ' HD12 ' A' ' 75' ' ' LEU . . . 70.09 51.8 21.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.465 HD13 ' HB2' ' A' ' 73' ' ' ARG . 7.2 mp -124.94 33.13 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.946 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.5 t -131.37 146.32 52.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -127.77 26.68 5.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -106.14 -58.44 1.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 86' ' ' HIS . . . 74.09 -108.56 2.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.536 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.485 ' OD2' ' NE2' ' A' ' 81' ' ' GLN . 1.0 OUTLIER -70.0 -15.58 63.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 110.859 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.485 ' NE2' ' OD2' ' A' ' 80' ' ' ASP . 16.9 mp0 -89.81 -23.62 21.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 9.3 t -50.83 165.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.29 2.8 31.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -125.76 166.62 16.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 64' ' ' LYS . 17.8 mt -74.42 141.26 45.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.601 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 16.5 m170 -110.63 22.12 15.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -120.78 138.07 54.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -78.39 103.52 8.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -126.38 123.06 37.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.928 ' O ' HD21 ' A' ' 113' ' ' LEU . 1.5 mmt -65.13 -9.42 22.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.2 p -103.03 -50.59 3.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -41.4 83.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.459 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 16.2 ptm -61.23 148.5 84.98 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 110.883 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 159.95 51.48 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.778 ' CD ' HD12 ' A' ' 115' ' ' ILE . 19.3 mt-10 -80.92 173.08 12.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.0 t -65.55 106.63 1.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -42.11 -34.34 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -71.26 -63.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -61.68 -16.21 46.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 t -91.19 -25.4 19.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.17 -62.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -83.5 -31.92 26.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 77.78 31.54 48.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.523 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -147.29 112.1 5.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.47 128.18 23.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.9 t -103.7 42.47 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -112.28 98.34 7.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -59.04 -40.71 85.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -103.03 43.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.8 t -77.23 115.99 53.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.651 0.738 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 3.67 2.64 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -104.85 151.06 24.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.928 HD21 ' O ' ' A' ' 90' ' ' MET . 4.6 mp -69.58 138.56 53.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.9 m170 -113.31 103.67 11.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.778 HD12 ' CD ' ' A' ' 95' ' ' GLU . 73.9 mt -111.41 128.68 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.4 t70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.617 0.722 . . . . 0.0 110.833 179.9 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.889 0.376 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.446 ' O ' HD12 ' A' ' 85' ' ' LEU . 34.8 mtpt -78.99 11.86 2.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -35.8 -37.02 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.1 t -92.0 144.98 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.8 t -87.55 129.69 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.8 t -48.06 140.07 7.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.552 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -88.82 -20.89 24.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -78.08 -57.93 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -48.73 -36.84 17.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 69' ' ' LYS . 32.9 mt -46.68 -45.41 19.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.532 ' HB2' HD13 ' A' ' 75' ' ' LEU . 18.1 mmt180 -102.93 11.54 37.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.48 41.45 76.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.532 HD13 ' HB2' ' A' ' 73' ' ' ARG . 9.1 mp -113.17 23.42 13.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.347 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.3 149.07 46.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -133.95 28.61 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -103.87 -35.93 7.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.66 -98.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -87.27 -0.39 56.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.25 -20.08 17.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.9 t -57.46 165.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.11 3.2 35.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -125.18 167.69 14.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.553 HD11 ' HD3' ' A' ' 92' ' ' LYS . 15.6 mt -73.23 141.23 47.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -110.59 26.62 10.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -131.68 127.89 37.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -62.79 103.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -124.88 117.82 24.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.589 ' O ' HD21 ' A' ' 113' ' ' LEU . 2.2 mmt -59.88 -26.26 65.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.3 p -87.77 -53.55 4.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.553 ' HD3' HD11 ' A' ' 85' ' ' LEU . 5.3 mmpt? -60.7 -46.23 91.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.507 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 9.3 ptm -59.82 147.36 79.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.58 0.705 . . . . 0.0 110.905 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.65 18.43 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.297 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.48 ' HG2' HD12 ' A' ' 115' ' ' ILE . 21.2 mp0 -88.48 177.0 6.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 23.8 t -63.12 110.8 1.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.577 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -46.82 -34.27 5.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -72.67 -66.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -57.77 -15.31 7.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.0 t -92.07 -28.95 16.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -102.33 -62.94 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -81.49 -27.63 34.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 72.08 34.0 61.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -149.99 112.65 4.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.946 0.403 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.526 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.4 127.09 21.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.0 t -102.23 36.88 2.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -102.63 117.64 35.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -76.08 -37.58 58.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -111.34 45.76 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.3 t -72.33 116.95 54.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.682 0.753 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 3.1 2.96 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -104.36 168.94 8.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.589 HD21 ' O ' ' A' ' 90' ' ' MET . 5.0 mp -85.57 136.74 33.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.526 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.6 m170 -112.5 98.2 7.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.48 HD12 ' HG2' ' A' ' 95' ' ' GLU . 64.8 mt -110.24 139.23 34.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.4 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.619 0.723 . . . . 0.0 110.841 179.879 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.926 0.393 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.628 ' O ' HD12 ' A' ' 85' ' ' LEU . 14.5 mtpt -73.58 3.39 6.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.7 t -34.43 -38.09 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.3 t -89.57 140.1 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 92' ' ' LYS . 43.5 t -83.08 125.96 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.6 t -42.85 141.14 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -87.86 -29.93 20.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -71.09 -53.08 15.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.593 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 31.8 t90 -53.43 -41.4 66.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.9 mt -49.61 -46.72 49.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -96.38 18.94 12.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 58.11 51.95 55.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.8 mt -128.91 28.21 5.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.873 0.368 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.1 t -130.44 150.54 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -133.12 25.13 4.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.496 ' O ' ' NE2' ' A' ' 81' ' ' GLN . 49.2 mttm -97.09 -37.05 10.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.84 -108.88 2.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.16 -1.02 54.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.757 0.313 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 78' ' ' LYS . 2.0 mp0 -93.73 -23.75 18.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 7.9 t -52.18 156.76 1.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.69 -3.13 58.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -120.94 167.22 12.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 64' ' ' LYS . 13.4 mt -75.14 137.36 41.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.593 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 14.3 m170 -106.26 27.26 8.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -130.22 127.1 38.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -67.4 102.93 1.18 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.407 ' C ' ' N ' ' A' ' 91' ' ' THR . 7.8 t0 -126.7 108.57 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.838 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.478 ' O ' HD21 ' A' ' 113' ' ' LEU . 82.1 mmm -43.85 -22.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.407 ' N ' ' C ' ' A' ' 89' ' ' ASP . 32.1 p -93.38 -49.88 5.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.519 ' HB3' HD13 ' A' ' 85' ' ' LEU . 7.9 mmpt? -82.54 25.07 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.932 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.4 ptm -120.38 153.27 55.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.565 0.697 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 134.4 27.92 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.293 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.1 169.57 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.469 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 10.7 t -57.86 112.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -49.91 -39.99 41.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -63.92 -60.3 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -60.76 -22.27 63.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.2 p -91.62 -15.46 28.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.6 ' HG3' ' CD2' ' A' ' 102' ' ' PHE . 6.1 tppt? -102.55 -65.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.6 ' CD2' ' HG3' ' A' ' 101' ' ' LYS . 9.3 m-85 -94.38 -27.56 15.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.97 31.18 40.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.455 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -143.41 111.98 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.924 0.392 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.62 124.22 18.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.0 p -100.16 44.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -111.27 121.16 44.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.99 -41.61 35.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -109.44 46.32 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.8 t -71.66 120.21 78.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.727 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 4.11 2.39 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.299 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.469 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 26.4 m-85 -108.44 156.3 19.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.489 ' H ' HD12 ' A' ' 113' ' ' LEU . 5.3 mp -74.48 135.71 42.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.8 m170 -113.07 94.73 5.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 87.6 mt -106.69 136.77 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.554 0.692 . . . . 0.0 110.877 179.882 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.928 0.394 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.42 ' O ' HD12 ' A' ' 85' ' ' LEU . 42.2 mtpt -81.61 16.5 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 92' ' ' LYS . 0.5 OUTLIER -40.98 -27.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 64' ' ' LYS . 55.8 t -103.67 143.53 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.3 t -84.69 126.37 40.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.8 t -43.51 139.14 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.588 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -89.14 -19.48 25.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -81.74 -56.43 4.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.442 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 2.9 t90 -49.17 -35.11 15.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 69' ' ' LYS . 32.3 mt -45.82 -55.08 7.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -93.99 20.01 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 62.81 51.98 51.74 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.5 mt -125.74 32.4 5.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.9 t -133.39 147.27 51.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -131.82 26.98 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.408 ' HB3' ' N ' ' A' ' 82' ' ' CYS . 39.9 mttp -100.61 -40.13 7.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.43 -90.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.471 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -92.36 -3.45 55.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -98.49 -14.56 19.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.408 ' N ' ' HB3' ' A' ' 78' ' ' LYS . 8.0 t -63.42 165.59 7.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.494 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 1.1 pt-20 -103.15 -6.28 22.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.494 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 89.5 m-85 -115.72 165.52 12.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.518 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 20.2 mt -72.99 140.0 47.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.442 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 10.5 m170 -107.82 18.73 20.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -121.14 129.76 53.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -65.79 103.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.417 ' O ' ' HB3' ' A' ' 93' ' ' MET . 0.9 OUTLIER -120.41 144.27 48.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.466 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 1.0 OUTLIER -83.96 -17.24 41.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 56.6 p -105.54 -40.04 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.187 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.518 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 6.9 mmpt? -81.44 18.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.466 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 21.8 ptm -121.74 150.54 55.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 138.16 37.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.751 2.3 . . . . 0.0 112.328 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.495 ' CD ' HD12 ' A' ' 115' ' ' ILE . 17.9 mt-10 -61.64 162.61 8.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.8 t -55.54 114.64 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -51.11 -37.47 46.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -66.13 -64.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -61.78 -16.08 46.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.4 t -89.74 -26.46 20.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -104.94 -64.85 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -78.83 -30.94 45.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.9 30.13 58.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.522 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -145.25 111.95 5.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.5 t -139.74 118.73 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.7 p -95.58 42.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.816 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -113.4 98.49 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -28.4 69.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -114.81 46.29 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.1 t -79.67 119.98 78.6 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.643 0.735 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 4.09 2.4 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -106.2 160.74 15.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.494 ' H ' HD12 ' A' ' 113' ' ' LEU . 5.0 mp -77.21 136.35 38.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.573 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 8.1 m170 -112.93 99.31 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.495 HD12 ' CD ' ' A' ' 95' ' ' GLU . 84.3 mt -110.77 138.52 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.1 t70 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 121.552 0.691 . . . . 0.0 110.875 179.843 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.908 0.385 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.599 ' O ' HD12 ' A' ' 85' ' ' LEU . 15.3 mtpt -73.83 3.44 6.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.462 ' C ' ' O ' ' A' ' 64' ' ' LYS . 5.0 t -33.08 -34.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 64' ' ' LYS . 38.9 t -91.66 142.79 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.5 t -83.93 129.65 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.4 t -46.19 142.33 2.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.585 ' HA ' HD12 ' A' ' 72' ' ' LEU . 9.0 ptpp? -89.03 -23.93 22.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -77.07 -56.56 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 14.1 t90 -50.79 -38.14 46.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 69' ' ' LYS . 31.1 mt -48.72 -47.74 41.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.4 mtt-85 -97.48 20.26 12.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 59.91 51.33 59.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.2 mt -128.79 31.53 4.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.17 144.48 48.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.438 ' HD3' ' N ' ' A' ' 77' ' ' LYS . 3.2 mppt? -128.4 19.11 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.449 ' HB3' ' N ' ' A' ' 82' ' ' CYS . 68.4 mttm -88.71 -46.08 9.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.32 -79.26 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -104.15 -2.32 25.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -99.86 -13.49 19.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.449 ' N ' ' HB3' ' A' ' 78' ' ' LYS . 7.3 t -62.64 166.03 5.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.22 -1.96 26.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -121.54 164.69 16.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 64' ' ' LYS . 14.3 mt -71.51 142.29 50.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -109.61 23.59 14.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -121.99 132.81 54.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -69.55 103.9 2.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.933 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.469 ' O ' ' CG ' ' A' ' 93' ' ' MET . 1.8 t70 -123.72 145.05 49.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.01 -18.38 55.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.1 p -105.21 -41.04 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.488 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 2.8 mmtp -79.13 15.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 89' ' ' ASP . 12.5 ptm -120.18 152.28 54.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.572 0.701 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 144.4 53.9 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 95' ' ' GLU . 15.8 mp0 -67.81 161.93 25.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.403 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 8.1 t -52.05 116.82 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -54.64 -31.25 57.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -75.08 -57.92 3.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -65.73 -16.79 64.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.6 p -92.08 -23.21 19.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -103.44 -64.8 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -84.21 -28.76 27.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.46 33.56 52.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -147.22 112.65 5.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.909 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.5 t -139.45 127.68 22.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 81.0 p -104.71 40.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -102.85 125.16 49.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -79.19 -40.43 30.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -113.54 46.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 2.0 t -71.13 117.48 56.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.51 2.72 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.403 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 15.4 m-85 -105.57 159.79 15.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.449 ' H ' HD12 ' A' ' 113' ' ' LEU . 5.4 mp -76.99 136.7 38.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.3 m170 -113.06 95.24 5.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 73.8 mt -110.06 138.06 39.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.546 0.688 . . . . 0.0 110.838 179.893 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.914 0.388 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.635 ' O ' HD12 ' A' ' 85' ' ' LEU . 20.3 mtpt -71.79 2.41 5.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.8 t -34.13 -33.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 64' ' ' LYS . 24.3 t -93.39 146.39 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.7 t -89.26 126.25 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.3 t -45.44 140.82 2.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -88.97 -24.42 22.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -76.23 -51.82 11.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.493 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 25.9 t90 -52.86 -39.89 62.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.1 mt -46.41 -51.65 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.553 ' HB2' HD13 ' A' ' 75' ' ' LEU . 26.4 mmt180 -91.8 7.56 41.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.589 ' C ' HD12 ' A' ' 75' ' ' LEU . . . 69.94 50.02 31.62 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.589 HD12 ' C ' ' A' ' 74' ' ' GLY . 9.0 mp -123.96 26.84 7.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.349 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.86 135.92 49.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -119.33 26.23 9.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 80' ' ' ASP . 55.1 mttm -97.96 -41.88 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.26 -79.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 78' ' ' LYS . 78.3 m-20 -98.94 -7.26 27.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -93.78 -23.58 18.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.463 ' N ' ' HB3' ' A' ' 78' ' ' LYS . 8.8 t -53.89 166.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.4 -1.33 21.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -119.9 167.82 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 64' ' ' LYS . 12.9 mt -72.82 138.51 46.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.493 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 7.6 m170 -107.1 20.18 19.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -119.92 137.86 53.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -76.73 103.95 6.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -123.21 145.03 48.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.868 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.483 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 0.9 OUTLIER -80.94 -16.54 53.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.0 p -105.38 -39.78 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.514 ' HB3' HD13 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -81.8 20.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.483 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 8.7 ptm -121.25 150.62 54.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 110.888 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.26 14.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.729 2.286 . . . . 0.0 112.331 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.411 ' CD ' ' H ' ' A' ' 95' ' ' GLU . 8.0 mp0 -51.38 173.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 16.2 t -67.47 110.29 3.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -46.7 -39.09 10.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -69.07 -70.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -55.99 -15.05 2.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.4 t -91.18 -30.38 16.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -101.67 -63.29 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -79.85 -30.46 40.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.51 34.04 51.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -150.24 113.04 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.902 0.382 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.5 t -139.43 121.67 15.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 75.5 p -95.94 38.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.833 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -111.43 111.18 22.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -74.03 -36.93 64.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -103.19 42.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.4 t -77.12 117.25 63.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.739 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 3.4 2.78 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.703 2.268 . . . . 0.0 112.377 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -101.49 171.09 7.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.5 mp -86.96 133.13 33.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 8.7 m170 -112.29 95.53 5.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 60.0 mt -109.5 143.17 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.0 t70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.604 0.716 . . . . 0.0 110.845 179.875 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.888 0.375 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.551 ' O ' HD12 ' A' ' 85' ' ' LEU . 29.7 mtpt -83.02 16.86 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 t -38.45 -36.87 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.1 t -92.3 144.96 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.6 t -88.55 124.36 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.1 t -41.62 137.05 1.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.659 ' HA ' HD12 ' A' ' 72' ' ' LEU . 12.2 ptpt -88.11 -22.02 24.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -77.27 -52.4 9.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.564 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 11.4 t90 -55.21 -37.6 67.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 69' ' ' LYS . 46.1 mt -50.88 -44.58 59.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.6 mmt-85 -98.41 17.15 19.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 59.35 50.84 63.44 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.1 mt -128.07 24.85 5.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.3 t -125.34 145.06 50.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.403 ' HD3' ' O ' ' A' ' 77' ' ' LYS . 1.6 tmtp? -130.24 30.12 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -102.7 -40.48 6.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.13 -99.2 0.13 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -85.46 -3.89 58.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.727 0.299 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -96.57 -17.76 20.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.1 t -60.83 166.0 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.28 -2.87 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -119.89 166.26 13.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 64' ' ' LYS . 15.2 mt -71.82 142.43 49.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.564 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 8.6 m170 -111.52 25.08 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -130.41 128.18 40.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.95 103.9 0.4 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.93 110.36 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.5 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 0.0 OUTLIER -53.84 -13.36 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.2 p -102.53 -47.15 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.496 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 4.1 mmpt? -83.09 25.66 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.5 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 8.8 ptm -120.9 153.36 57.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.58 0.705 . . . . 0.0 110.886 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 135.06 29.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.726 2.284 . . . . 0.0 112.328 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -64.14 167.1 6.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.7 t -60.85 112.73 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -51.12 -33.02 24.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -70.61 -66.07 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -60.74 -15.82 33.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.5 t -92.0 -25.44 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -103.53 -64.07 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -82.85 -27.89 30.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 74.12 33.18 57.47 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -148.6 113.53 5.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.932 0.396 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.8 t -139.52 131.4 27.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.8 m -107.44 44.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -114.0 97.16 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -57.85 -29.26 64.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -119.49 48.14 1.57 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.7 t -74.07 121.66 85.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.58 0.705 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 3.69 2.61 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.698 2.265 . . . . 0.0 112.376 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -106.8 175.18 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.9 mp -90.68 137.03 32.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 9.4 m170 -113.15 95.35 5.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 77.1 mt -108.35 141.65 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.9 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.887 179.839 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.869 0.366 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 66' ' ' VAL . 26.3 mtpt -69.7 0.55 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.473 HG23 HG23 ' A' ' 66' ' ' VAL . 9.3 t -32.65 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 64' ' ' LYS . 49.4 t -91.61 142.0 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.6 t -85.86 121.38 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.8 t -40.93 136.23 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.666 ' HA ' HD12 ' A' ' 72' ' ' LEU . 3.3 ptpp? -82.37 -29.21 31.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -71.47 -60.62 2.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.818 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.495 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 6.3 t90 -42.67 -40.43 2.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 69' ' ' LYS . 28.5 mt -41.78 -65.67 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.456 ' HB2' HD23 ' A' ' 75' ' ' LEU . 9.4 mpt_? -86.62 11.96 11.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.675 ' C ' HD22 ' A' ' 75' ' ' LEU . . . 72.31 52.12 11.54 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.675 HD22 ' C ' ' A' ' 74' ' ' GLY . 2.3 mm? -119.57 26.44 9.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.1 t -131.63 141.91 49.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -122.31 29.03 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -105.95 -63.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.495 ' HA2' ' CE1' ' A' ' 86' ' ' HIS . . . 81.94 -103.24 2.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.401 ' HB3' ' NE2' ' A' ' 81' ' ' GLN . 16.8 t70 -77.58 -9.84 59.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.401 ' NE2' ' HB3' ' A' ' 80' ' ' ASP . 6.6 mp0 -94.96 -24.04 17.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 17.4 t -50.41 165.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.445 ' CD ' ' CE1' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -99.23 -11.22 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.445 ' CE1' ' CD ' ' A' ' 83' ' ' GLU . 97.1 m-85 -113.7 165.31 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 64' ' ' LYS . 19.2 mt -72.87 143.83 47.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.495 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 13.9 m170 -110.93 25.39 11.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -126.47 135.8 51.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -78.03 103.32 7.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -126.5 124.42 40.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.487 ' O ' HD21 ' A' ' 113' ' ' LEU . 80.6 mmm -64.34 -13.43 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 82.4 p -97.95 -53.54 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -64.12 -40.48 96.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 17.8 ptm -60.5 150.98 72.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.71 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.38 60.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.656 2.238 . . . . 0.0 112.384 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -78.47 169.03 18.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.478 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 12.8 t -57.69 115.44 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -51.7 -38.29 54.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -70.7 -64.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.408 ' O ' ' HA2' ' A' ' 103' ' ' GLY . 3.2 t80 -58.82 -14.39 8.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.965 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.5 p -92.18 -34.37 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -93.55 -65.31 1.0 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -80.85 -34.57 33.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 99' ' ' TYR . . . 80.42 35.57 25.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.44 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -150.35 111.93 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.3 t -139.5 131.72 28.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.7 t -107.07 40.18 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.419 ' CB ' ' HB2' ' A' ' 110' ' ' CYS . 8.8 m-20 -103.63 114.28 28.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -69.19 -41.98 76.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -110.83 46.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.419 ' HB2' ' CB ' ' A' ' 107' ' ' ASN . 2.0 t -73.14 116.55 51.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 7.54 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.716 2.278 . . . . 0.0 112.324 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.478 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 38.8 m-85 -109.84 149.84 29.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.524 ' H ' HD12 ' A' ' 113' ' ' LEU . 5.7 mp -67.03 134.94 52.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.555 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.3 m170 -113.38 97.0 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 76.6 mt -109.06 140.78 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.8 t70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.634 0.73 . . . . 0.0 110.819 179.874 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.895 0.378 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 66' ' ' VAL . 43.8 mtpt -72.25 2.2 6.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.486 ' C ' ' O ' ' A' ' 64' ' ' LYS . 4.7 t -31.29 -37.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 64' ' ' LYS . 42.6 t -87.24 138.17 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.3 t -83.05 124.2 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 15.0 t -41.4 141.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.762 ' HA ' HD12 ' A' ' 72' ' ' LEU . 14.5 ptpt -88.17 -31.05 19.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -71.38 -57.52 4.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.44 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 7.2 t90 -47.08 -38.56 11.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.762 HD12 ' HA ' ' A' ' 69' ' ' LYS . 26.8 mt -44.88 -53.76 7.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.41 ' O ' HD12 ' A' ' 75' ' ' LEU . 56.6 mtm180 -94.36 12.43 27.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.37 51.36 22.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 73' ' ' ARG . 7.0 mp -124.89 31.48 5.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.8 t -134.43 132.56 39.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.92 25.68 11.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -100.98 -55.83 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.486 ' HA2' ' CE1' ' A' ' 86' ' ' HIS . . . 72.5 -98.17 0.82 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.68 -11.23 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -91.44 -23.87 19.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 15.6 t -50.02 163.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -100.82 1.08 39.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -123.52 168.21 12.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.49 HD11 ' HD3' ' A' ' 92' ' ' LYS . 21.2 mt -75.5 138.59 41.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.486 ' CE1' ' HA2' ' A' ' 79' ' ' GLY . 10.9 m170 -106.99 26.0 10.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -124.87 138.36 54.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -80.22 103.71 10.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -126.21 124.94 41.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.475 ' HE3' ' SD ' ' A' ' 93' ' ' MET . 0.0 OUTLIER -64.99 -7.91 13.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.9 p -105.7 -54.46 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.49 ' HD3' HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -64.18 -38.99 93.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.475 ' SD ' ' HE3' ' A' ' 90' ' ' MET . 19.5 ptm -59.92 152.27 60.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.709 . . . . 0.0 110.88 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 156.18 64.09 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -75.68 161.69 28.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 100' ' ' SER . 12.4 t -53.05 112.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.63 -39.03 49.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -68.48 -66.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.403 ' O ' ' HA2' ' A' ' 103' ' ' GLY . 3.9 t80 -58.89 -14.31 8.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.416 ' HB3' ' O ' ' A' ' 96' ' ' CYS . 10.8 t -89.3 -36.71 15.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -94.81 -65.21 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -77.55 -36.19 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.416 ' C ' ' HG2' ' A' ' 104' ' ' GLU . . . 80.29 33.25 32.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.512 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.416 ' HG2' ' C ' ' A' ' 103' ' ' GLY . 36.8 mm-40 -147.71 112.1 5.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.3 t -139.47 116.98 11.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.8 p -90.72 42.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -120.07 97.82 5.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -61.91 -41.12 97.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -97.93 42.04 1.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.4 t -75.86 120.9 83.73 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.581 0.705 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 5.68 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.64 2.227 . . . . 0.0 112.375 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -107.85 161.62 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.416 HD21 ' O ' ' A' ' 90' ' ' MET . 5.3 mp -76.77 134.0 39.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.4 m170 -113.09 94.73 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 78.4 mt -101.16 135.2 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.7 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.854 179.854 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.876 0.37 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.579 ' O ' HD12 ' A' ' 85' ' ' LEU . 40.9 mtpt -84.09 17.72 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -38.25 -35.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.4 t -95.82 141.08 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.168 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 85' ' ' LEU . 43.4 t -85.13 126.85 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.8 t -41.31 138.38 1.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.784 ' HA ' HD12 ' A' ' 72' ' ' LEU . 15.3 ptpt -88.73 -24.55 22.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -74.89 -55.59 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.559 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 4.7 t90 -52.02 -37.46 53.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.784 HD12 ' HA ' ' A' ' 69' ' ' LYS . 21.2 mt -49.88 -45.26 50.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -97.43 9.57 42.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.83 46.98 50.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.449 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.1 mt -124.19 29.76 6.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.3 t -134.24 146.47 50.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.06 37.61 3.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -104.86 -39.02 6.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.6 -109.1 2.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.5 -4.2 58.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.773 0.32 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -89.25 -24.17 22.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 7.0 t -49.0 164.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.71 -1.25 43.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -125.05 170.78 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 64' ' ' LYS . 16.3 mt -76.44 132.95 39.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.559 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 10.8 m170 -102.94 22.12 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -126.48 126.76 44.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -61.97 103.87 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -125.88 103.54 7.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.498 ' HE2' ' SD ' ' A' ' 93' ' ' MET . 0.6 OUTLIER -46.99 -20.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.7 p -92.95 -45.01 8.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.494 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 4.7 mmpt? -87.33 26.09 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.498 ' SD ' ' HE2' ' A' ' 90' ' ' MET . 10.1 ptm -120.26 150.89 52.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.901 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 134.31 27.73 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.668 2.245 . . . . 0.0 112.382 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.411 ' CD ' ' H ' ' A' ' 95' ' ' GLU . 27.4 mp0 -62.61 174.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.0 t -65.14 115.64 5.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 1.2 t80 -53.25 -32.93 50.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -72.68 -64.35 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -60.98 -17.76 53.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.1 p -89.55 -24.2 21.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -105.06 -63.99 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -82.54 -32.75 28.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.31 33.11 36.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -149.17 113.42 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.39 126.45 21.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 91.4 p -98.79 43.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -112.68 95.18 5.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -55.67 -41.79 74.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -108.43 47.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.97 120.57 80.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.733 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 3.64 2.66 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -104.36 179.71 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.445 HD11 ' HG2' ' A' ' 93' ' ' MET . 5.3 mp -97.66 136.09 38.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 15.1 m170 -111.77 99.92 8.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 58.8 mt -104.73 135.04 44.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 179.811 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.557 ' O ' HD12 ' A' ' 85' ' ' LEU . 33.6 mtpt -68.17 -1.15 5.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.459 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.7 t -33.43 -36.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 64' ' ' LYS . 39.8 t -88.73 140.46 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 82.8 t -82.81 133.02 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 9.4 t -51.74 141.91 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.795 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -88.29 -21.17 24.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -79.24 -57.49 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.457 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 8.0 t90 -49.82 -37.5 30.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.795 HD12 ' HA ' ' A' ' 69' ' ' LYS . 28.5 mt -45.82 -47.28 15.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.497 ' O ' HD12 ' A' ' 75' ' ' LEU . 7.0 mmm180 -104.55 16.06 26.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.22 51.08 40.7 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.463 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 73' ' ' ARG . 7.2 mp -121.85 24.03 9.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.879 0.371 . . . . 0.0 110.927 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.35 153.57 46.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -134.35 26.13 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 82' ' ' CYS . 49.6 mtpt -99.25 -42.16 7.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.61 -112.27 3.65 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.425 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -85.83 -2.54 58.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.751 0.31 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 78' ' ' LYS . 2.3 mp0 -92.3 -22.96 19.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.467 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . 17.4 t -48.71 160.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.52 0.34 57.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -126.14 167.46 15.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 64' ' ' LYS . 12.3 mt -76.03 136.38 39.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.457 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 17.6 m170 -106.63 25.42 11.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.422 ' CD ' ' HB2' ' A' ' 89' ' ' ASP . 0.3 OUTLIER -130.19 121.39 26.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.873 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -61.46 104.13 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.422 ' HB2' ' CD ' ' A' ' 87' ' ' GLU . 6.0 t0 -126.18 107.08 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 58.4 mmm -44.24 -22.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.401 ' N ' ' C ' ' A' ' 89' ' ' ASP . 41.7 p -92.48 -50.43 5.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 7.8 mmpt? -83.06 29.92 0.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.518 ' CG ' HD11 ' A' ' 113' ' ' LEU . 10.0 ptm -119.8 152.88 54.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.711 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 128.29 15.83 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -55.78 169.15 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.2 t -61.12 112.58 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.515 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -51.21 -32.68 24.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -73.04 -63.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -63.44 -15.0 56.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.0 t -91.5 -27.13 18.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.8 -64.14 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.965 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -80.51 -29.84 37.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.3 29.58 59.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -145.43 112.73 6.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.849 0.357 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.3 t -139.46 116.08 10.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.4 m -91.9 40.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.792 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -104.5 123.08 46.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -80.79 -39.92 25.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -111.49 46.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.6 t -72.57 117.38 58.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.46 2.73 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.646 2.23 . . . . 0.0 112.36 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -104.07 167.52 9.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.518 HD11 ' CG ' ' A' ' 93' ' ' MET . 5.2 mp -83.98 136.83 33.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.58 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.9 m170 -113.43 99.03 7.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 59.2 mt -113.79 137.15 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.678 0.751 . . . . 0.0 110.832 179.914 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.889 0.376 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 66' ' ' VAL . 29.0 mtpt -79.31 12.85 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.8 t -36.78 -29.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 64' ' ' LYS . 24.5 t -104.91 147.68 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 85' ' ' LEU . 89.1 t -86.7 131.21 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 9.3 t -48.54 135.86 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.478 ' HA ' HD12 ' A' ' 72' ' ' LEU . 4.4 ptmt -86.73 -20.18 28.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -79.46 -50.24 11.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.497 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 10.5 t90 -55.62 -37.36 68.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 69' ' ' LYS . 40.6 mt -47.78 -51.05 23.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.4 mtt180 -93.52 15.66 15.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.91 51.61 55.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 80.9 mt -125.31 23.27 7.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.0 t -125.54 147.46 49.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' A' ' 77' ' ' LYS . 0.3 OUTLIER -131.65 35.6 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -107.18 -38.89 5.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.84 -93.03 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -92.43 -2.04 56.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.73 0.3 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -98.36 -15.96 19.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 6.4 t -60.95 165.81 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 0.9 OUTLIER -103.36 -5.01 23.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.475 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 96.9 m-85 -118.23 163.38 16.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.505 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 20.5 mt -70.2 137.74 51.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.497 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 9.7 m170 -106.8 17.16 23.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -118.15 126.92 53.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.55 104.82 0.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.412 ' O ' ' SD ' ' A' ' 93' ' ' MET . 1.6 m-20 -120.7 144.84 48.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.486 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 0.9 OUTLIER -84.51 -18.96 34.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.1 p -104.94 -39.83 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.505 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 6.4 mmpt? -80.89 18.59 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.486 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 20.4 ptm -121.27 150.23 53.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.561 0.696 . . . . 0.0 110.885 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 138.87 38.76 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.378 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.628 ' HG2' HD12 ' A' ' 115' ' ' ILE . 6.5 mp0 -57.25 168.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 23.1 t -55.7 114.27 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -49.32 -34.59 15.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -72.62 -66.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -58.14 -18.02 22.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.8 t -91.55 -23.04 20.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -104.9 -65.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -82.64 -28.24 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 74.82 31.64 57.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -148.65 113.55 5.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.7 t -139.46 125.05 19.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.5 p -101.91 45.06 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -109.08 124.55 50.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -82.88 -27.94 30.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -122.56 44.84 2.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.9 t -69.69 119.25 69.85 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.666 0.746 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 4.05 2.41 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.653 2.235 . . . . 0.0 112.372 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -106.14 179.18 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.8 mp -96.18 137.72 34.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 10.2 m170 -112.79 95.85 5.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.628 HD12 ' HG2' ' A' ' 95' ' ' GLU . 79.9 mt -105.91 132.42 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.9 t70 . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 121.61 0.719 . . . . 0.0 110.837 179.87 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.963 0.411 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.561 ' O ' HD12 ' A' ' 85' ' ' LEU . 40.5 mtpt -71.72 1.2 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.932 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.467 ' C ' ' O ' ' A' ' 64' ' ' LYS . 9.8 t -32.32 -41.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.441 ' N ' HG23 ' A' ' 65' ' ' THR . 35.6 t -84.86 134.34 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 92' ' ' LYS . 18.1 t -80.47 124.48 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.6 t -41.27 143.84 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 72' ' ' LEU . 11.4 ptpt -88.84 -31.8 18.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -69.85 -60.14 2.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.514 ' CZ3' HD23 ' A' ' 72' ' ' LEU . 3.1 t90 -43.62 -38.02 2.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 69' ' ' LYS . 35.3 mt -46.76 -47.72 20.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.604 ' HB2' HD13 ' A' ' 75' ' ' LEU . 21.9 mmt180 -100.9 14.41 31.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 66.56 47.14 71.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.604 HD13 ' HB2' ' A' ' 73' ' ' ARG . 9.6 mp -118.96 25.82 9.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.71 142.61 50.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -125.71 29.67 5.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -100.3 -42.76 6.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.84 -108.83 2.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -83.4 0.08 47.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -97.29 -19.92 18.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.7 t -55.37 164.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.72 -8.2 31.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -116.52 166.47 12.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 64' ' ' LYS . 11.3 mt -72.5 134.51 45.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.492 ' N ' ' OE2' ' A' ' 87' ' ' GLU . 9.4 m170 -104.2 30.03 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.492 ' OE2' ' N ' ' A' ' 86' ' ' HIS . 1.7 pm0 -137.33 126.2 24.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.24 103.98 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.95 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 91' ' ' THR . 16.7 m-20 -125.09 101.85 7.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -41.67 -25.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 89' ' ' ASP . 35.2 p -87.78 -46.01 9.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.494 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 3.7 mmpt? -89.61 31.87 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.414 ' HG3' HD11 ' A' ' 113' ' ' LEU . 0.5 OUTLIER -120.12 154.97 56.07 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.529 0.681 . . . . 0.0 110.88 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.41 ' O ' ' SD ' ' A' ' 93' ' ' MET . 54.4 Cg_endo -69.73 113.54 3.4 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.435 ' CB ' ' HB2' ' A' ' 113' ' ' LEU . 27.0 mp0 -50.65 175.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.483 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 12.6 t -64.62 106.58 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -47.06 -37.24 9.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -69.51 -63.6 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -63.02 -14.98 54.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.2 t -91.25 -26.74 18.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.94 -63.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -80.44 -30.62 37.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.65 34.16 49.95 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -148.97 111.88 4.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.0 t -139.59 128.78 23.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.8 p -102.47 43.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.437 ' CB ' ' HB2' ' A' ' 110' ' ' CYS . 17.4 m-20 -110.37 113.81 26.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -69.15 -44.31 72.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -108.57 47.28 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.437 ' HB2' ' CB ' ' A' ' 107' ' ' ASN . 4.1 t -72.95 117.15 57.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 4.67 2.06 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.653 2.235 . . . . 0.0 112.317 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.483 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 36.4 m-85 -105.25 160.04 15.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.435 ' HB2' ' CB ' ' A' ' 95' ' ' GLU . 5.7 mp -78.68 137.68 37.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 10.7 m170 -112.78 97.56 6.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 74.6 mt -106.59 132.75 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 179.851 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.474 ' HG3' HG22 ' A' ' 65' ' ' THR . 8.4 pt-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.896 0.379 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 65' ' ' THR . 36.1 mtpt -67.75 -2.79 7.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.474 HG22 ' HG3' ' A' ' 63' ' ' GLU . 7.3 t -33.16 -42.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.425 ' N ' HG23 ' A' ' 65' ' ' THR . 19.1 t -86.93 141.88 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.0 t -84.56 126.31 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.7 t -43.15 138.55 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.763 ' HA ' HD12 ' A' ' 72' ' ' LEU . 9.0 ptpp? -88.26 -23.79 23.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -77.61 -55.13 5.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.6 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 7.6 t90 -49.86 -35.87 24.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' A' ' 69' ' ' LYS . 28.6 mt -47.29 -47.14 25.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -101.08 16.99 23.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 60.97 52.11 54.39 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.4 mt -127.08 25.91 6.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 6.3 t -117.09 143.59 45.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.35 34.24 5.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -113.54 -48.01 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.65 -111.09 3.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.429 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -76.42 -11.37 59.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.757 0.313 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -87.87 -23.97 23.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.7 t -48.73 155.67 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.471 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 0.8 OUTLIER -93.68 -5.79 47.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 97.2 m-85 -116.91 162.44 17.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.43 HD11 ' HD3' ' A' ' 92' ' ' LYS . 15.7 mt -68.73 138.26 54.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.6 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 8.2 m170 -106.0 16.21 25.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.428 ' OE1' ' N ' ' A' ' 86' ' ' HIS . 1.6 pm0 -120.95 134.37 55.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -69.66 104.76 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 93' ' ' MET . 7.9 m-20 -120.54 114.7 22.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.838 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.682 ' O ' HD21 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -55.02 -11.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 31.7 p -103.94 -53.79 2.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.105 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.43 ' HD3' HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -63.97 -35.14 79.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.419 ' HG3' HD11 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -59.97 149.39 73.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 123.37 10.02 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.716 2.277 . . . . 0.0 112.288 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.53 ' HA ' HD13 ' A' ' 113' ' ' LEU . 5.7 mp0 -55.01 166.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.5 t -55.08 106.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -48.78 -33.96 11.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -70.88 -59.43 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.86 -14.93 63.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.9 t -89.65 -27.41 20.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -103.05 -64.16 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -81.13 -31.23 34.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.78 36.64 41.79 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -150.03 112.26 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.39 117.99 12.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -90.52 43.61 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -116.77 126.2 52.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -85.19 -43.47 13.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -100.43 41.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 5.6 t -72.05 116.44 48.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.675 0.75 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 5.05 1.86 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.311 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -102.29 175.95 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.682 HD21 ' O ' ' A' ' 90' ' ' MET . 5.4 mp -93.09 135.39 34.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 11.8 m170 -112.88 104.15 12.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 65.5 mt -120.2 128.03 75.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.817 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.0 p -95.48 124.16 39.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.906 0.384 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 t -118.08 26.67 9.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.36 -152.64 2.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.2 p -170.29 143.01 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -42.16 -42.65 3.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.27 84.03 0.33 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -63.65 179.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.964 0.411 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.589 ' O ' HD12 ' A' ' 85' ' ' LEU . 37.4 mtpt -76.91 7.85 4.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.5 t -36.65 -36.83 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.0 t -93.13 141.77 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 85' ' ' LEU . 77.9 t -84.65 128.34 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 t -45.9 137.28 5.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.471 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -89.24 -18.25 27.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -81.08 -48.61 11.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.529 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 22.6 t90 -56.94 -38.08 72.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 69' ' ' LYS . 60.3 mt -48.65 -51.15 29.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -90.41 16.57 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 60.56 48.28 86.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.8 mt -123.66 27.77 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.2 t -130.76 137.55 49.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.63 29.42 7.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.433 ' O ' ' NE2' ' A' ' 81' ' ' GLN . 29.0 mtpp -100.45 -45.11 5.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 70.37 -111.39 3.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.523 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -81.14 -5.08 57.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.765 0.317 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.506 ' N ' ' CD ' ' A' ' 81' ' ' GLN . 1.9 mp0 -91.56 -23.47 19.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 12.3 t -48.95 166.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.35 2.85 45.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -129.86 168.05 17.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 64' ' ' LYS . 17.8 mt -74.38 138.26 43.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.529 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 12.1 m170 -106.9 24.8 12.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -122.98 134.58 54.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -74.82 103.86 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -125.31 130.97 53.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.498 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 3.1 mmt -69.38 -10.8 59.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 50.6 p -104.15 -50.01 3.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.477 ' HD3' ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -65.24 -41.75 94.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.498 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 13.8 ptm -62.55 150.43 86.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.541 0.686 . . . . 0.0 110.886 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 173.32 11.18 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 95' ' ' GLU . 1.6 mp0 -89.3 176.66 6.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 47.1 t -69.64 108.23 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -47.04 -33.84 5.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -71.04 -60.02 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -65.73 -15.61 62.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.928 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.2 t -91.06 -27.28 18.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.578 ' HD2' ' CD1' ' A' ' 102' ' ' PHE . 4.1 tmtt? -103.4 -63.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.944 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.578 ' CD1' ' HD2' ' A' ' 101' ' ' LYS . 2.7 m-85 -79.74 -30.86 40.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.18 30.41 58.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -148.71 113.19 5.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.956 0.408 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 5.6 t -139.6 115.2 10.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.7 t -89.74 45.23 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -110.15 125.05 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -86.02 -26.51 25.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -123.35 44.15 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.5 t -72.02 120.29 79.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.65 2.67 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.647 2.232 . . . . 0.0 112.321 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -105.91 166.38 10.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.3 mp -82.88 136.55 34.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 8.7 m170 -113.13 99.53 7.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 72.3 mt -109.67 132.77 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.434 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 4.7 t70 -71.42 141.03 85.19 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 0.0 110.862 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.436 ' O ' HD11 ' A' ' 121' ' ' ILE . 54.1 Cg_endo -69.71 3.02 2.99 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.257 . . . . 0.0 112.389 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -100.94 -4.32 27.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t -113.68 17.14 18.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -123.44 31.69 5.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.436 HD11 ' O ' ' A' ' 117' ' ' PRO . 5.1 mp -113.09 135.66 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 123' ' ' ASP . 41.5 tptt -66.46 -66.99 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 122' ' ' LYS . 11.2 t70 -34.85 -60.59 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.7 m -42.38 157.67 0.22 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.576 0.703 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.564 ' HG2' ' CH2' ' A' ' 126' ' ' TRP . 54.0 Cg_endo -69.75 -0.33 6.75 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.564 ' CH2' ' HG2' ' A' ' 125' ' ' PRO . 2.2 m95 -94.7 75.68 3.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 128' ' ' GLY . 21.0 m -109.14 -174.48 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -34.31 -92.08 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 130' ' ' SER . 53.9 Cg_endo -69.76 -51.43 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 129' ' ' PRO . 85.9 p -35.61 -41.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 30.0 t -78.24 148.88 33.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.082 -0.844 . . . . 0.0 112.491 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.3 t -146.07 150.81 36.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.389 . . . . 0.0 110.814 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.6 m -85.4 -33.0 22.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -110.83 -154.07 13.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.515 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.6 p -87.2 156.92 19.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.906 0.384 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.6 m -84.52 79.84 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 153.15 79.76 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -106.51 -176.0 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.637 ' O ' HD12 ' A' ' 85' ' ' LEU . 36.7 mtpt -74.66 7.8 2.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' LYS . 2.8 t -36.16 -32.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' LYS . 20.8 t -96.54 141.22 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.3 t -83.38 126.74 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.5 t -42.65 139.87 1.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.759 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -89.3 -22.37 22.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.954 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.419 ' ND1' ' HG2' ' A' ' 69' ' ' LYS . 8.1 m80 -78.58 -53.88 6.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -51.51 -37.55 49.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 69' ' ' LYS . 31.8 mt -46.76 -51.64 15.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -95.88 16.62 17.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.44 51.9 48.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 70.8 mt -124.53 28.53 6.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -133.38 148.37 51.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.92 26.45 3.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -97.09 -35.42 10.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.33 -102.47 0.54 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.498 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -90.51 2.41 55.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.749 0.309 . . . . 0.0 110.825 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -97.71 -18.79 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.8 t -58.51 160.03 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.69 -2.08 56.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -123.32 167.8 13.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.637 HD12 ' O ' ' A' ' 64' ' ' LYS . 12.1 mt -72.27 143.05 48.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -112.37 26.74 10.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -134.26 126.89 30.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -61.92 103.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -126.4 106.42 9.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.828 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 64.0 mmm -51.78 -16.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 32.8 p -97.31 -29.79 13.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.489 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -105.31 25.31 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.4 ptm -118.38 152.32 50.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.553 0.692 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 134.93 29.09 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.405 ' CD ' ' H ' ' A' ' 95' ' ' GLU . 11.3 mp0 -61.83 173.35 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 15.4 t -61.39 111.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.455 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -47.54 -36.64 10.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -70.67 -66.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -59.92 -15.03 18.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.9 t -90.88 -26.89 19.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -103.46 -64.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -81.24 -28.68 34.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.403 ' C ' ' HG2' ' A' ' 104' ' ' GLU . . . 74.09 32.48 58.46 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.512 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.403 ' HG2' ' C ' ' A' ' 103' ' ' GLY . 21.5 mm-40 -146.67 111.95 5.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.379 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.3 t -139.66 122.96 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.4 p -98.06 41.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -105.14 127.08 52.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -82.61 -42.15 18.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -110.91 46.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.6 t -72.4 118.0 63.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.6 0.714 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 3.68 2.65 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -105.41 159.28 16.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.427 ' H ' HD12 ' A' ' 113' ' ' LEU . 5.5 mp -76.69 135.78 39.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.5 m170 -112.7 95.81 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 74.4 mt -108.09 137.66 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 2.9 t70 -66.26 140.63 96.9 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 53.0 Cg_endo -69.77 2.2 3.75 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.305 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.552 ' HA ' HD12 ' A' ' 121' ' ' ILE . 25.2 mt-10 -101.78 -37.48 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 99.7 p -64.01 -28.39 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -88.08 51.16 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' A' ' 118' ' ' GLU . 73.9 mt -142.63 134.06 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -69.93 -55.18 10.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -66.32 73.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 2.6 m -166.22 159.61 12.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.585 0.707 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.569 ' HG2' ' CE3' ' A' ' 126' ' ' TRP . 53.1 Cg_endo -69.78 -2.27 9.91 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.718 2.279 . . . . 0.0 112.311 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.569 ' CE3' ' HG2' ' A' ' 125' ' ' PRO . 0.5 OUTLIER -133.52 97.13 3.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.1 m -141.69 159.38 42.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 80.33 -162.37 45.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -24.83 29.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.381 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 27.2 m -105.96 140.81 38.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 132' ' ' GLY . 91.5 p -154.13 158.75 40.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 131' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.3 p -89.78 -59.52 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.369 . . . . 0.0 110.836 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 t -61.27 -32.61 72.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.73 -166.44 26.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.0 p -111.3 -61.46 1.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.2 m -80.15 125.96 30.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.48 -108.67 0.38 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -69.04 179.83 1.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.557 ' O ' HD12 ' A' ' 85' ' ' LEU . 39.1 mtpt -69.94 0.24 6.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.9 t -33.49 -38.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 64' ' ' LYS . 21.3 t -89.08 143.95 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.4 t -82.98 134.63 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.2 t -53.59 139.76 30.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.601 ' HA ' HD12 ' A' ' 72' ' ' LEU . 15.6 ptpt -85.76 -26.88 25.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -73.69 -53.4 10.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -51.18 -38.6 53.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 69' ' ' LYS . 45.9 mt -48.77 -50.05 35.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -93.84 20.57 7.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.31 51.97 50.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.515 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.7 mt -126.38 24.55 6.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.347 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 t -127.48 141.4 51.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -126.87 32.06 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -100.07 -34.08 10.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.43 -116.18 8.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.63 9.9 12.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -103.05 -21.92 13.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 12.1 t -51.13 163.92 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.52 -0.26 57.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -127.05 169.17 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 64' ' ' LYS . 13.8 mt -74.62 135.77 42.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.463 ' N ' ' OE2' ' A' ' 87' ' ' GLU . 12.2 m170 -105.13 21.6 16.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.463 ' OE2' ' N ' ' A' ' 86' ' ' HIS . 1.7 pm0 -125.07 133.79 52.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -73.43 107.59 5.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -125.89 135.78 52.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.52 ' O ' HD21 ' A' ' 113' ' ' LEU . 0.1 OUTLIER -72.45 -11.78 60.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.0 p -104.46 -53.36 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.519 ' HD3' HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -59.16 -45.39 91.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 14.9 ptm -60.57 154.41 55.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.534 0.683 . . . . 0.0 110.926 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 169.62 18.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.712 2.275 . . . . 0.0 112.35 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.484 ' N ' ' CD ' ' A' ' 95' ' ' GLU . 2.2 mp0 -93.52 168.21 11.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 100' ' ' SER . 3.4 t -63.46 116.81 5.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -54.16 -37.13 64.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -65.99 -69.05 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -59.12 -14.71 11.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 32.1 t -90.83 -28.31 18.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -102.67 -64.99 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -80.48 -27.85 37.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.33 35.35 56.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.459 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -149.05 112.44 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.927 0.394 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.5 t -139.55 120.54 14.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 58.0 m -94.86 39.33 1.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -112.26 114.68 27.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -75.11 -39.9 60.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -102.48 43.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.7 t -74.89 116.63 55.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.651 0.739 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 4.33 2.26 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.642 2.228 . . . . 0.0 112.318 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -105.3 167.25 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.52 HD21 ' O ' ' A' ' 90' ' ' MET . 5.6 mp -84.61 137.26 33.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.573 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 9.5 m170 -112.44 97.83 6.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 75.8 mt -100.47 131.47 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.409 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 5.5 t70 -58.25 140.35 83.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 110.84 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.409 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 54.2 Cg_endo -69.79 1.78 4.14 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.234 . . . . 0.0 112.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -96.87 -21.86 17.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.1 p -80.77 -32.96 35.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -95.82 79.49 3.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 40.3 mm -119.48 145.63 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 123' ' ' ASP . 0.4 OUTLIER -84.23 -56.64 3.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.454 ' N ' ' HD2' ' A' ' 122' ' ' LYS . 8.4 t0 -33.89 -44.86 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.3 m -43.1 162.69 0.17 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 4.41 2.19 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.707 2.271 . . . . 0.0 112.374 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -87.31 119.57 27.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.1 m -164.37 179.52 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.409 ' HA3' ' HD2' ' A' ' 129' ' ' PRO . . . 104.49 -136.43 13.05 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.409 ' HD2' ' HA3' ' A' ' 128' ' ' GLY . 54.1 Cg_endo -69.7 -38.56 7.75 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.25 . . . . 0.0 112.373 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 78.4 p -144.32 125.15 14.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 t -133.06 -45.0 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.458 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 p -57.05 -43.94 82.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.4 t -92.04 19.79 6.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.41 -98.28 1.12 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.6 p -57.86 154.77 11.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 62' ' ' GLY . 49.7 m -83.35 38.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 61' ' ' SER . . . 34.56 -147.69 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.522 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -61.69 176.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.503 ' O ' HD12 ' A' ' 85' ' ' LEU . 19.8 mtpt -72.64 2.48 6.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -32.46 -37.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 64' ' ' LYS . 38.3 t -85.42 135.04 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.083 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.7 t -78.6 132.2 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.5 t -53.81 137.49 38.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.797 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -84.07 -19.71 33.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -79.26 -57.35 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.407 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 6.3 t90 -48.95 -38.29 22.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.797 HD12 ' HA ' ' A' ' 69' ' ' LYS . 35.8 mt -45.35 -63.73 0.88 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -83.41 7.89 15.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.74 50.96 27.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.3 mp -120.95 19.64 11.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.18 151.81 36.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -134.4 22.46 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -93.55 -43.4 8.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.07 -99.67 0.88 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -95.04 4.7 53.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.784 0.326 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -101.08 -18.43 16.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 9.2 t -54.16 163.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.8 -0.17 43.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -124.99 165.68 17.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 64' ' ' LYS . 13.8 mt -71.73 137.51 47.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.407 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 11.1 m170 -104.84 18.12 22.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -118.85 140.45 49.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -81.58 103.5 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -126.29 122.46 35.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.845 ' O ' HD21 ' A' ' 113' ' ' LEU . 91.8 mmm -64.76 -7.62 11.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.1 p -103.19 -51.89 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.461 ' HD3' HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -68.04 -38.0 81.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.3 ptm -62.98 150.25 88.59 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.19 57.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.368 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.429 ' HG2' ' CD1' ' A' ' 115' ' ' ILE . 6.2 mp0 -83.53 165.31 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 100' ' ' SER . 3.3 t -52.01 117.83 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.537 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -55.27 -30.35 59.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -74.47 -65.22 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -61.81 -14.94 37.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 47.3 t -91.43 -29.04 17.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -100.81 -64.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -79.79 -32.62 40.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.52 30.76 43.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -145.54 111.98 5.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.2 t -139.66 116.61 11.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 t -92.9 44.18 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.4 ' CB ' ' HB2' ' A' ' 110' ' ' CYS . 86.9 m-20 -107.88 127.88 54.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -82.05 -45.9 14.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -109.82 47.83 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.4 ' HB2' ' CB ' ' A' ' 107' ' ' ASN . 5.7 t -70.49 118.85 68.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.644 0.735 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.56 2.71 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -107.43 155.64 19.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.845 HD21 ' O ' ' A' ' 90' ' ' MET . 5.1 mp -73.64 138.02 44.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.573 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.3 m170 -112.93 99.35 7.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.429 ' CD1' ' HG2' ' A' ' 95' ' ' GLU . 57.4 mt -109.45 139.26 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.422 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 1.8 t70 -65.17 141.02 98.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.586 0.708 . . . . 0.0 110.829 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 53.4 Cg_endo -69.82 1.44 4.47 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -101.46 -29.2 12.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.7 m -78.2 -15.52 58.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -102.65 54.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.8 mt -141.17 140.68 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.89 -12.05 9.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -103.21 44.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 14.3 p -103.43 151.09 38.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.562 0.696 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.403 ' HG2' ' CE3' ' A' ' 126' ' ' TRP . 53.6 Cg_endo -69.79 -27.01 26.84 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.69 2.26 . . . . 0.0 112.362 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.403 ' CE3' ' HG2' ' A' ' 125' ' ' PRO . 2.8 m95 -49.74 150.95 1.89 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 31.4 t -174.59 123.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.421 ' HA3' ' HD2' ' A' ' 129' ' ' PRO . . . 76.36 -137.42 21.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.421 ' HD2' ' HA3' ' A' ' 128' ' ' GLY . 53.5 Cg_endo -69.79 -26.33 27.56 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.661 2.241 . . . . 0.0 112.367 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.6 t -50.41 -50.2 52.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 96.0 p -44.94 -51.84 9.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.503 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.7 p -76.01 135.56 39.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.3 t -87.85 -32.67 18.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 162.95 174.36 32.77 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.462 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.2 m -51.72 94.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 110.864 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.1 m -124.27 82.65 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.02 71.6 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.471 ' HG2' HG22 ' A' ' 65' ' ' THR . 15.8 pm0 -59.6 176.32 0.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.961 0.41 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.531 ' O ' HD12 ' A' ' 85' ' ' LEU . 37.5 mtpt -72.13 -0.69 12.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.471 HG22 ' HG2' ' A' ' 63' ' ' GLU . 10.1 t -33.64 -36.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' LYS . 42.9 t -88.09 138.49 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.2 t -82.91 126.77 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 9.4 t -45.44 132.22 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.561 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -85.06 -12.2 53.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -87.33 -50.7 6.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.476 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 5.0 t90 -57.46 -35.85 70.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 69' ' ' LYS . 36.7 mt -47.0 -50.62 18.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.545 ' HB2' HD13 ' A' ' 75' ' ' LEU . 78.5 mtm-85 -94.04 10.18 34.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.579 ' C ' HD12 ' A' ' 75' ' ' LEU . . . 69.51 50.66 30.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.454 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.579 HD12 ' C ' ' A' ' 74' ' ' GLY . 10.4 mp -124.07 27.36 7.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.902 0.382 . . . . 0.0 110.944 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.9 t -126.86 150.15 49.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.92 21.73 4.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -94.1 -48.1 6.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.49 -97.8 0.89 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -93.9 -0.49 55.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -96.86 -23.97 16.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.6 t -49.74 166.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.406 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -100.76 -2.88 31.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.406 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 95.6 m-85 -121.05 164.0 17.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 64' ' ' LYS . 16.3 mt -72.01 142.06 49.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.476 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 11.6 m170 -109.43 20.1 18.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.428 ' CD ' ' HB2' ' A' ' 89' ' ' ASP . 0.3 OUTLIER -119.46 135.3 54.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -73.06 105.72 4.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.428 ' HB2' ' CD ' ' A' ' 87' ' ' GLU . 2.5 t0 -126.16 122.89 36.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.05 -12.58 19.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.9 p -104.13 -50.79 3.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -43.36 84.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 13.9 ptm -59.72 148.69 74.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.558 0.695 . . . . 0.0 110.896 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 174.19 9.89 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.617 ' HG2' HD12 ' A' ' 115' ' ' ILE . 34.0 mp0 -85.41 169.6 13.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.0 t -58.45 124.25 18.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -57.64 -32.88 67.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -71.86 -70.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -53.38 -17.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.964 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 86.6 p -91.25 -29.88 16.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -101.67 -63.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -78.67 -29.96 45.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.28 30.39 58.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -149.5 113.12 5.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.939 0.4 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 5.1 t -139.53 114.75 9.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.2 t -90.84 40.78 1.03 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -117.17 98.74 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -64.25 -37.11 86.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -101.91 42.64 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.7 t -74.56 124.47 89.78 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.644 0.735 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 2.95 3.05 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.678 2.252 . . . . 0.0 112.399 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -107.5 174.54 5.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.5 mp -91.68 136.06 33.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 12.8 m170 -112.44 105.13 13.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.617 HD12 ' HG2' ' A' ' 95' ' ' GLU . 62.7 mt -117.82 139.21 45.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.433 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 4.5 t70 -60.42 140.98 91.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 0.0 110.863 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 53.7 Cg_endo -69.78 3.42 2.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.354 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -98.37 -24.59 15.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.8 t -82.79 -33.97 27.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -85.84 68.87 10.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 77.6 mt -145.21 130.33 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -74.67 -40.82 61.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.31 52.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.8 m -157.39 160.61 30.28 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 110.825 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.473 ' HG2' ' CH2' ' A' ' 126' ' ' TRP . 54.1 Cg_endo -69.75 2.89 3.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.473 ' CH2' ' HG2' ' A' ' 125' ' ' PRO . 3.0 m95 -94.33 145.07 25.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.962 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.4 t -139.34 111.69 7.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 63.97 -147.33 50.73 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.54 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -41.47 4.24 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 88.3 p -81.2 93.22 6.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 90.3 p -79.05 105.28 10.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.446 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 85.6 p -84.32 110.75 18.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.851 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.0 p -115.66 26.7 9.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -109.42 -58.33 0.52 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.0 p 41.91 40.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.918 0.389 . . . . 0.0 110.879 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 m -133.27 109.24 9.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.891 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.53 119.83 6.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.516 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -69.09 -175.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.958 0.409 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 66' ' ' VAL . 39.1 mtpt -68.83 0.03 4.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 64' ' ' LYS . 3.5 t -32.61 -35.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 64' ' ' LYS . 35.5 t -87.77 141.29 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.0 t -84.65 127.58 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.0 t -51.11 119.1 3.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.519 ' HA ' HD12 ' A' ' 72' ' ' LEU . 3.4 ptpt -70.87 -20.19 62.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -78.08 -58.92 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.837 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.521 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 6.7 t90 -47.71 -36.67 11.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 69' ' ' LYS . 33.9 mt -46.66 -56.76 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.409 ' C ' HD12 ' A' ' 75' ' ' LEU . 16.7 mmm-85 -92.25 12.78 21.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.06 51.92 26.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.409 HD12 ' C ' ' A' ' 73' ' ' ARG . 6.8 mp -119.91 23.38 11.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.9 t -126.72 151.87 47.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.02 24.13 3.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -98.57 -55.04 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.56 -107.88 2.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -82.31 -6.67 59.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.728 0.299 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.461 ' N ' ' CD ' ' A' ' 81' ' ' GLN . 1.7 mp0 -92.45 -23.72 19.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 12.0 t -48.65 165.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.74 0.63 39.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -125.22 165.5 18.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 64' ' ' LYS . 16.9 mt -73.67 138.49 44.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.521 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 12.3 m170 -105.69 22.66 15.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -123.47 137.08 54.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -76.51 103.72 6.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -126.39 134.37 51.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.806 ' O ' HD21 ' A' ' 113' ' ' LEU . 74.7 mmm -75.58 -11.13 59.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.1 p -103.84 -26.12 12.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -93.19 -42.11 9.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 15.4 ptm -60.08 153.37 56.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.646 0.736 . . . . 0.0 110.868 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 159.55 52.97 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.473 ' HG2' HD12 ' A' ' 115' ' ' ILE . 33.8 mp0 -81.01 173.17 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.422 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 7.9 t -64.1 115.86 5.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -51.49 -41.95 61.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -61.88 -62.04 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -60.35 -22.04 62.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.9 t -91.93 -13.29 31.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.594 ' HG3' ' CD2' ' A' ' 102' ' ' PHE . 2.7 tppt? -104.79 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.594 ' CD2' ' HG3' ' A' ' 101' ' ' LYS . 9.4 m-85 -94.7 -26.59 16.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.0 30.3 43.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -141.24 112.06 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.935 0.397 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.6 t -139.47 124.22 18.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.0 m -100.56 43.33 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -118.68 111.71 18.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -40.22 64.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -100.42 41.12 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.4 t -72.22 121.03 83.61 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 3.34 2.83 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.713 2.276 . . . . 0.0 112.34 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.422 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 20.7 m-85 -109.59 157.4 19.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.806 HD21 ' O ' ' A' ' 90' ' ' MET . 5.1 mp -75.09 138.51 42.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.1 m170 -113.05 96.42 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.809 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.473 HD12 ' HG2' ' A' ' 95' ' ' GLU . 82.2 mt -101.36 129.19 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -62.2 139.69 96.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.41 4.49 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -102.27 -4.51 25.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.2 m -105.88 -26.06 11.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -89.36 51.84 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 9.8 mm -100.77 146.48 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 123' ' ' ASP . 0.0 OUTLIER -102.31 -29.23 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.827 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.434 ' N ' ' HG2' ' A' ' 122' ' ' LYS . 4.4 p-10 -97.29 44.67 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 31.6 p -115.53 143.73 31.1 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.506 ' HG2' ' CZ3' ' A' ' 126' ' ' TRP . 54.0 Cg_endo -69.73 -2.96 11.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.506 ' CZ3' ' HG2' ' A' ' 125' ' ' PRO . 2.8 m95 -84.34 169.13 14.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.3 t -156.25 111.66 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 55.61 -164.65 4.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 -17.2 38.16 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 2.258 . . . . 0.0 112.383 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 131' ' ' SER . 11.1 t -44.6 -56.99 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 130' ' ' SER . 33.4 t -34.88 -49.16 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.103 -0.831 . . . . 0.0 112.493 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.9 m -93.92 116.08 28.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.37 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.2 m -92.65 26.76 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.12 143.69 14.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.1 p -112.79 -50.65 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.862 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.0 m -48.79 122.26 5.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -113.3 88.77 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.532 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -53.66 -177.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.955 0.407 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.543 ' O ' HD12 ' A' ' 85' ' ' LEU . 39.5 mtpt -74.01 2.6 8.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.9 t -33.36 -36.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 64' ' ' LYS . 14.8 t -90.04 141.87 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 64.6 t -86.2 126.33 40.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.1 t -44.89 118.98 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.763 ' HA ' HD12 ' A' ' 72' ' ' LEU . 10.7 ptmt -69.27 -22.15 63.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.442 ' ND1' ' HG2' ' A' ' 69' ' ' LYS . 2.4 m80 -78.13 -66.33 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.601 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 3.4 t90 -40.41 -36.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' A' ' 69' ' ' LYS . 31.5 mt -43.44 -61.94 1.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.465 ' HB2' HD13 ' A' ' 75' ' ' LEU . 20.2 mtt85 -86.27 12.55 9.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.418 ' C ' HD12 ' A' ' 75' ' ' LEU . . . 70.09 51.8 21.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.465 HD13 ' HB2' ' A' ' 73' ' ' ARG . 7.2 mp -124.94 33.13 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.946 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.5 t -131.37 146.32 52.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -127.77 26.68 5.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -106.14 -58.44 1.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 86' ' ' HIS . . . 74.09 -108.56 2.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.536 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.485 ' OD2' ' NE2' ' A' ' 81' ' ' GLN . 1.0 OUTLIER -70.0 -15.58 63.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 110.859 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.485 ' NE2' ' OD2' ' A' ' 80' ' ' ASP . 16.9 mp0 -89.81 -23.62 21.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 9.3 t -50.83 165.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.29 2.8 31.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -125.76 166.62 16.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 64' ' ' LYS . 17.8 mt -74.42 141.26 45.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.601 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 16.5 m170 -110.63 22.12 15.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -120.78 138.07 54.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -78.39 103.52 8.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -126.38 123.06 37.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.928 ' O ' HD21 ' A' ' 113' ' ' LEU . 1.5 mmt -65.13 -9.42 22.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.2 p -103.03 -50.59 3.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -41.4 83.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.459 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 16.2 ptm -61.23 148.5 84.98 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 110.883 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 159.95 51.48 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.778 ' CD ' HD12 ' A' ' 115' ' ' ILE . 19.3 mt-10 -80.92 173.08 12.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.0 t -65.55 106.63 1.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -42.11 -34.34 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -71.26 -63.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -61.68 -16.21 46.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 t -91.19 -25.4 19.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.17 -62.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -83.5 -31.92 26.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 77.78 31.54 48.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.523 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -147.29 112.1 5.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.47 128.18 23.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.9 t -103.7 42.47 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -112.28 98.34 7.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -59.04 -40.71 85.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -103.03 43.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.8 t -77.23 115.99 53.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.651 0.738 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 3.67 2.64 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -104.85 151.06 24.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.928 HD21 ' O ' ' A' ' 90' ' ' MET . 4.6 mp -69.58 138.56 53.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.9 m170 -113.31 103.67 11.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.778 HD12 ' CD ' ' A' ' 95' ' ' GLU . 73.9 mt -111.41 128.68 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -51.58 137.29 32.58 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.617 0.722 . . . . 0.0 110.833 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 2.01 3.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.261 . . . . 0.0 112.36 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -108.46 -13.59 14.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.9 t -91.8 14.08 16.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -131.15 -29.1 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 98.4 mt -40.6 146.09 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.164 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 123' ' ' ASP . 19.1 tptm -108.58 -64.4 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 122' ' ' LYS . 7.6 t70 -32.72 -43.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 123' ' ' ASP . 20.3 p -34.46 151.03 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.607 0.718 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -15.33 37.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.361 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -69.7 95.31 0.87 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.1 m -98.61 -66.66 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -59.19 -151.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -28.68 25.2 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 79.4 p -128.67 -51.81 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 25.5 p -174.52 134.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.52 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 81.2 p -93.85 43.51 1.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.4 t -111.46 25.23 11.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -114.67 -131.38 5.11 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.7 t -86.16 50.27 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.2 p -131.25 161.99 31.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.77 38.12 5.9 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.447 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -58.55 178.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' O ' HD12 ' A' ' 85' ' ' LEU . 34.8 mtpt -78.99 11.86 2.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -35.8 -37.02 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.1 t -92.0 144.98 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.8 t -87.55 129.69 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.8 t -48.06 140.07 7.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.552 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -88.82 -20.89 24.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -78.08 -57.93 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -48.73 -36.84 17.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 69' ' ' LYS . 32.9 mt -46.68 -45.41 19.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.532 ' HB2' HD13 ' A' ' 75' ' ' LEU . 18.1 mmt180 -102.93 11.54 37.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.48 41.45 76.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.532 HD13 ' HB2' ' A' ' 73' ' ' ARG . 9.1 mp -113.17 23.42 13.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.347 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.3 149.07 46.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -133.95 28.61 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -103.87 -35.93 7.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.66 -98.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -87.27 -0.39 56.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.25 -20.08 17.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.9 t -57.46 165.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.11 3.2 35.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -125.18 167.69 14.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.553 HD11 ' HD3' ' A' ' 92' ' ' LYS . 15.6 mt -73.23 141.23 47.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -110.59 26.62 10.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -131.68 127.89 37.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -62.79 103.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -124.88 117.82 24.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.589 ' O ' HD21 ' A' ' 113' ' ' LEU . 2.2 mmt -59.88 -26.26 65.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.3 p -87.77 -53.55 4.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.553 ' HD3' HD11 ' A' ' 85' ' ' LEU . 5.3 mmpt? -60.7 -46.23 91.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.507 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 9.3 ptm -59.82 147.36 79.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.58 0.705 . . . . 0.0 110.905 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.65 18.43 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.297 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.48 ' HG2' HD12 ' A' ' 115' ' ' ILE . 21.2 mp0 -88.48 177.0 6.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 23.8 t -63.12 110.8 1.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.577 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -46.82 -34.27 5.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -72.67 -66.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -57.77 -15.31 7.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.0 t -92.07 -28.95 16.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -102.33 -62.94 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -81.49 -27.63 34.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 72.08 34.0 61.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -149.99 112.65 4.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.946 0.403 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.526 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.4 127.09 21.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.0 t -102.23 36.88 2.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -102.63 117.64 35.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -76.08 -37.58 58.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -111.34 45.76 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.3 t -72.33 116.95 54.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.682 0.753 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 3.1 2.96 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -104.36 168.94 8.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.589 HD21 ' O ' ' A' ' 90' ' ' MET . 5.0 mp -85.57 136.74 33.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.526 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.6 m170 -112.5 98.2 7.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.48 HD12 ' HG2' ' A' ' 95' ' ' GLU . 64.8 mt -110.24 139.23 34.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -65.03 138.96 97.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.619 0.723 . . . . 0.0 110.841 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -0.71 7.29 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -98.33 -14.77 20.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.2 t -91.67 -21.83 20.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -97.35 49.12 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 17.7 mm -109.59 144.13 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.91 -23.89 8.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.82 -61.35 2.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.7 m -42.24 161.52 0.16 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.594 0.712 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.586 ' HG2' ' CE3' ' A' ' 126' ' ' TRP . 54.4 Cg_endo -69.79 4.07 2.42 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.586 ' CE3' ' HG2' ' A' ' 125' ' ' PRO . 0.4 OUTLIER -134.77 135.37 41.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.7 t -157.19 165.48 35.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 87.03 -166.62 37.18 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -13.07 34.0 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.29 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 44.9 t -122.13 116.98 25.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 96.2 p -128.21 129.12 45.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.489 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.6 m 46.02 43.1 10.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.7 t -89.49 26.87 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.49 162.38 9.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.52 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.4 t -45.43 168.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.7 t -110.34 -50.69 2.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -90.01 52.45 3.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -59.66 -178.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.926 0.393 . . . . 0.0 110.919 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.628 ' O ' HD12 ' A' ' 85' ' ' LEU . 14.5 mtpt -73.58 3.39 6.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.7 t -34.43 -38.09 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.3 t -89.57 140.1 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 92' ' ' LYS . 43.5 t -83.08 125.96 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.6 t -42.85 141.14 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -87.86 -29.93 20.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -71.09 -53.08 15.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.593 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 31.8 t90 -53.43 -41.4 66.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.9 mt -49.61 -46.72 49.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -96.38 18.94 12.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 58.11 51.95 55.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.8 mt -128.91 28.21 5.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.873 0.368 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.1 t -130.44 150.54 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -133.12 25.13 4.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.496 ' O ' ' NE2' ' A' ' 81' ' ' GLN . 49.2 mttm -97.09 -37.05 10.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.84 -108.88 2.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.16 -1.02 54.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.757 0.313 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 78' ' ' LYS . 2.0 mp0 -93.73 -23.75 18.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 7.9 t -52.18 156.76 1.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.69 -3.13 58.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -120.94 167.22 12.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 64' ' ' LYS . 13.4 mt -75.14 137.36 41.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.593 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 14.3 m170 -106.26 27.26 8.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -130.22 127.1 38.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -67.4 102.93 1.18 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.407 ' C ' ' N ' ' A' ' 91' ' ' THR . 7.8 t0 -126.7 108.57 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.838 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.478 ' O ' HD21 ' A' ' 113' ' ' LEU . 82.1 mmm -43.85 -22.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.407 ' N ' ' C ' ' A' ' 89' ' ' ASP . 32.1 p -93.38 -49.88 5.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.519 ' HB3' HD13 ' A' ' 85' ' ' LEU . 7.9 mmpt? -82.54 25.07 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.932 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.4 ptm -120.38 153.27 55.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.565 0.697 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 134.4 27.92 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.293 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.1 169.57 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.469 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 10.7 t -57.86 112.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -49.91 -39.99 41.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -63.92 -60.3 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -60.76 -22.27 63.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.2 p -91.62 -15.46 28.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.6 ' HG3' ' CD2' ' A' ' 102' ' ' PHE . 6.1 tppt? -102.55 -65.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.6 ' CD2' ' HG3' ' A' ' 101' ' ' LYS . 9.3 m-85 -94.38 -27.56 15.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.97 31.18 40.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.455 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -143.41 111.98 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.924 0.392 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.62 124.22 18.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.0 p -100.16 44.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -111.27 121.16 44.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.99 -41.61 35.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -109.44 46.32 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.8 t -71.66 120.21 78.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.727 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 4.11 2.39 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.299 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.469 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 26.4 m-85 -108.44 156.3 19.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.489 ' H ' HD12 ' A' ' 113' ' ' LEU . 5.3 mp -74.48 135.71 42.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.8 m170 -113.07 94.73 5.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 87.6 mt -106.69 136.77 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.92 139.84 52.05 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.554 0.692 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 0.54 5.51 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.707 2.272 . . . . 0.0 112.345 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.447 ' HA ' ' CD1' ' A' ' 121' ' ' ILE . 13.0 mt-10 -98.68 -22.04 16.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.2 p -94.76 0.77 55.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -92.94 -31.72 14.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 118' ' ' GLU . 2.9 mp -39.76 150.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -97.98 -60.42 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.88 82.84 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 11.8 p -108.61 146.55 33.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.7 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.403 ' HG2' ' CZ3' ' A' ' 126' ' ' TRP . 54.0 Cg_endo -69.75 2.31 3.64 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.403 ' CZ3' ' HG2' ' A' ' 125' ' ' PRO . 3.7 m95 -87.14 114.97 24.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.9 m -106.52 -57.14 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 160.94 -84.39 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.516 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 2.43 3.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 41.1 t -114.52 -37.24 4.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 71.1 m -39.77 130.14 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.474 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.5 m -109.2 41.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.823 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.9 p -107.26 -32.23 7.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.97 67.43 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.443 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.0 t -103.84 159.57 15.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.4 m -44.69 108.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -111.9 -174.06 19.57 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.529 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -76.89 178.46 6.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' O ' HD12 ' A' ' 85' ' ' LEU . 42.2 mtpt -81.61 16.5 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 92' ' ' LYS . 0.5 OUTLIER -40.98 -27.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 64' ' ' LYS . 55.8 t -103.67 143.53 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.3 t -84.69 126.37 40.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.8 t -43.51 139.14 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.588 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -89.14 -19.48 25.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -81.74 -56.43 4.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.442 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 2.9 t90 -49.17 -35.11 15.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 69' ' ' LYS . 32.3 mt -45.82 -55.08 7.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -93.99 20.01 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 62.81 51.98 51.74 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.5 mt -125.74 32.4 5.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.9 t -133.39 147.27 51.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -131.82 26.98 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.408 ' HB3' ' N ' ' A' ' 82' ' ' CYS . 39.9 mttp -100.61 -40.13 7.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.43 -90.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.471 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -92.36 -3.45 55.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -98.49 -14.56 19.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.408 ' N ' ' HB3' ' A' ' 78' ' ' LYS . 8.0 t -63.42 165.59 7.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.494 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 1.1 pt-20 -103.15 -6.28 22.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.494 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 89.5 m-85 -115.72 165.52 12.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.518 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 20.2 mt -72.99 140.0 47.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.442 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 10.5 m170 -107.82 18.73 20.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -121.14 129.76 53.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -65.79 103.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.417 ' O ' ' HB3' ' A' ' 93' ' ' MET . 0.9 OUTLIER -120.41 144.27 48.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.466 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 1.0 OUTLIER -83.96 -17.24 41.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 56.6 p -105.54 -40.04 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.187 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.518 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 6.9 mmpt? -81.44 18.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.466 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 21.8 ptm -121.74 150.54 55.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 138.16 37.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.751 2.3 . . . . 0.0 112.328 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.495 ' CD ' HD12 ' A' ' 115' ' ' ILE . 17.9 mt-10 -61.64 162.61 8.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.8 t -55.54 114.64 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -51.11 -37.47 46.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -66.13 -64.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -61.78 -16.08 46.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.4 t -89.74 -26.46 20.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -104.94 -64.85 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -78.83 -30.94 45.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.9 30.13 58.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.522 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -145.25 111.95 5.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.5 t -139.74 118.73 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.7 p -95.58 42.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.816 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -113.4 98.49 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -28.4 69.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -114.81 46.29 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.1 t -79.67 119.98 78.6 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.643 0.735 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 4.09 2.4 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -106.2 160.74 15.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.494 ' H ' HD12 ' A' ' 113' ' ' LEU . 5.0 mp -77.21 136.35 38.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.573 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 8.1 m170 -112.93 99.31 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.495 HD12 ' CD ' ' A' ' 95' ' ' GLU . 84.3 mt -110.77 138.52 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -57.85 139.21 82.6 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.552 0.691 . . . . 0.0 110.875 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 0.71 5.24 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.659 2.24 . . . . 0.0 112.333 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -95.45 -20.4 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.8 t -76.35 -27.53 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -98.76 79.28 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 15.2 mm -136.89 150.26 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -103.79 -50.52 3.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.494 ' CG ' ' N ' ' A' ' 124' ' ' CYS . 0.2 OUTLIER -38.97 -51.65 1.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.494 ' N ' ' CG ' ' A' ' 123' ' ' ASP . 4.1 m -41.43 158.93 0.18 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.589 0.709 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.548 ' HG2' ' CZ3' ' A' ' 126' ' ' TRP . 53.2 Cg_endo -69.82 1.78 4.16 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.285 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.548 ' CZ3' ' HG2' ' A' ' 125' ' ' PRO . 2.6 m95 -92.69 128.3 38.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 79.0 p -96.62 91.19 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.67 -164.06 12.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.439 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -34.94 13.74 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.273 . . . . 0.0 112.343 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.3 t -65.04 -43.26 92.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 55.0 p 47.23 41.32 11.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.537 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 t -111.05 42.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 0.0 110.853 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.6 m -111.13 -32.88 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.5 45.36 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.9 m -114.95 112.62 22.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 110.86 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 t -103.82 -41.96 5.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.77 117.26 7.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -93.1 -176.52 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 0.0 110.922 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.599 ' O ' HD12 ' A' ' 85' ' ' LEU . 15.3 mtpt -73.83 3.44 6.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.462 ' C ' ' O ' ' A' ' 64' ' ' LYS . 5.0 t -33.08 -34.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 64' ' ' LYS . 38.9 t -91.66 142.79 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.5 t -83.93 129.65 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.4 t -46.19 142.33 2.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.585 ' HA ' HD12 ' A' ' 72' ' ' LEU . 9.0 ptpp? -89.03 -23.93 22.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -77.07 -56.56 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 14.1 t90 -50.79 -38.14 46.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 69' ' ' LYS . 31.1 mt -48.72 -47.74 41.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.4 mtt-85 -97.48 20.26 12.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 59.91 51.33 59.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.2 mt -128.79 31.53 4.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.17 144.48 48.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.438 ' HD3' ' N ' ' A' ' 77' ' ' LYS . 3.2 mppt? -128.4 19.11 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.449 ' HB3' ' N ' ' A' ' 82' ' ' CYS . 68.4 mttm -88.71 -46.08 9.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.32 -79.26 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -104.15 -2.32 25.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -99.86 -13.49 19.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.449 ' N ' ' HB3' ' A' ' 78' ' ' LYS . 7.3 t -62.64 166.03 5.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.22 -1.96 26.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -121.54 164.69 16.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 64' ' ' LYS . 14.3 mt -71.51 142.29 50.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -109.61 23.59 14.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -121.99 132.81 54.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -69.55 103.9 2.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.933 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.469 ' O ' ' CG ' ' A' ' 93' ' ' MET . 1.8 t70 -123.72 145.05 49.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.01 -18.38 55.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.1 p -105.21 -41.04 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.488 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 2.8 mmtp -79.13 15.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 89' ' ' ASP . 12.5 ptm -120.18 152.28 54.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.572 0.701 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 144.4 53.9 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 95' ' ' GLU . 15.8 mp0 -67.81 161.93 25.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.403 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 8.1 t -52.05 116.82 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -54.64 -31.25 57.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -75.08 -57.92 3.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -65.73 -16.79 64.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.6 p -92.08 -23.21 19.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -103.44 -64.8 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -84.21 -28.76 27.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.46 33.56 52.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -147.22 112.65 5.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.909 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.5 t -139.45 127.68 22.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 81.0 p -104.71 40.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -102.85 125.16 49.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -79.19 -40.43 30.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -113.54 46.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 2.0 t -71.13 117.48 56.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.51 2.72 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.403 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 15.4 m-85 -105.57 159.79 15.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.449 ' H ' HD12 ' A' ' 113' ' ' LEU . 5.4 mp -76.99 136.7 38.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.3 m170 -113.06 95.24 5.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 73.8 mt -110.06 138.06 39.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 2.5 t70 -61.5 140.5 94.88 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.546 0.688 . . . . 0.0 110.838 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 53.9 Cg_endo -69.67 2.78 3.18 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.683 2.256 . . . . 0.0 112.339 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -104.43 -17.35 14.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.0 m -88.05 -25.49 23.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -90.26 45.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 24.0 mm -106.76 138.45 32.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 123' ' ' ASP . 9.8 tptp -83.69 -59.7 2.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 122' ' ' LYS . 1.0 OUTLIER -35.25 -53.13 0.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.845 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 16.9 m -41.03 152.17 0.25 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.588 0.708 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.447 ' HG2' ' CZ3' ' A' ' 126' ' ' TRP . 53.7 Cg_endo -69.76 1.17 4.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.298 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.447 ' CZ3' ' HG2' ' A' ' 125' ' ' PRO . 3.3 m95 -88.82 84.27 6.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.9 t -120.43 84.94 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 117.32 -167.59 12.71 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.441 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -45.15 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.354 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.5 t -104.38 42.81 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.812 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 75.7 m 45.08 41.24 5.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.451 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.2 m -88.04 82.18 7.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.7 m -103.47 -32.32 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.65 114.42 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.8 p -84.03 167.6 16.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 m 44.7 45.95 8.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 63' ' ' GLU . . . -73.37 -37.66 53.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.506 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 62' ' ' GLY . 7.7 pt-20 -50.32 -177.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.914 0.388 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.635 ' O ' HD12 ' A' ' 85' ' ' LEU . 20.3 mtpt -71.79 2.41 5.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.8 t -34.13 -33.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 64' ' ' LYS . 24.3 t -93.39 146.39 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.7 t -89.26 126.25 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.3 t -45.44 140.82 2.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -88.97 -24.42 22.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -76.23 -51.82 11.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.493 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 25.9 t90 -52.86 -39.89 62.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.1 mt -46.41 -51.65 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.553 ' HB2' HD13 ' A' ' 75' ' ' LEU . 26.4 mmt180 -91.8 7.56 41.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.589 ' C ' HD12 ' A' ' 75' ' ' LEU . . . 69.94 50.02 31.62 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.589 HD12 ' C ' ' A' ' 74' ' ' GLY . 9.0 mp -123.96 26.84 7.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.349 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.86 135.92 49.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -119.33 26.23 9.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 80' ' ' ASP . 55.1 mttm -97.96 -41.88 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.26 -79.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 78' ' ' LYS . 78.3 m-20 -98.94 -7.26 27.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -93.78 -23.58 18.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.463 ' N ' ' HB3' ' A' ' 78' ' ' LYS . 8.8 t -53.89 166.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.4 -1.33 21.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -119.9 167.82 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 64' ' ' LYS . 12.9 mt -72.82 138.51 46.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.493 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 7.6 m170 -107.1 20.18 19.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -119.92 137.86 53.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -76.73 103.95 6.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -123.21 145.03 48.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.868 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.483 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 0.9 OUTLIER -80.94 -16.54 53.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.0 p -105.38 -39.78 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.514 ' HB3' HD13 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -81.8 20.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.483 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 8.7 ptm -121.25 150.62 54.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 110.888 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.26 14.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.729 2.286 . . . . 0.0 112.331 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.411 ' CD ' ' H ' ' A' ' 95' ' ' GLU . 8.0 mp0 -51.38 173.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 16.2 t -67.47 110.29 3.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -46.7 -39.09 10.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -69.07 -70.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -55.99 -15.05 2.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.4 t -91.18 -30.38 16.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -101.67 -63.29 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -79.85 -30.46 40.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.51 34.04 51.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -150.24 113.04 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.902 0.382 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.5 t -139.43 121.67 15.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 75.5 p -95.94 38.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.833 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -111.43 111.18 22.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -74.03 -36.93 64.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -103.19 42.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.4 t -77.12 117.25 63.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.739 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 3.4 2.78 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.703 2.268 . . . . 0.0 112.377 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -101.49 171.09 7.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.5 mp -86.96 133.13 33.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 8.7 m170 -112.29 95.53 5.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 60.0 mt -109.5 143.17 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.411 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 5.0 t70 -60.02 139.71 90.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.604 0.716 . . . . 0.0 110.845 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.411 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 53.9 Cg_endo -69.74 2.41 3.55 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.439 ' HA ' ' CD1' ' A' ' 121' ' ' ILE . 13.6 mt-10 -105.54 -11.71 16.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.3 p -103.07 25.4 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -124.03 -19.94 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.589 ' H ' HD12 ' A' ' 121' ' ' ILE . 3.8 mp -50.42 149.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -82.37 -55.02 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -38.16 -72.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.815 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.51 ' HB3' ' CD1' ' A' ' 126' ' ' TRP . 18.8 m -42.98 153.31 0.34 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.638 0.733 . . . . 0.0 110.853 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 0.72 5.26 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.51 ' CD1' ' HB3' ' A' ' 124' ' ' CYS . 3.4 m95 -84.77 113.5 21.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.976 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.7 m -151.22 157.6 42.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.817 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 54.35 179.23 0.16 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -1.38 8.36 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.1 t -70.84 -53.55 14.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 79.7 p -39.37 -45.45 1.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.468 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 t -75.01 -54.1 7.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 110.862 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.2 p -95.89 26.78 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.92 124.17 9.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.3 t -69.74 78.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.5 m -159.78 122.23 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -142.28 105.39 0.41 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.473 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -56.61 -178.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.888 0.375 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.551 ' O ' HD12 ' A' ' 85' ' ' LEU . 29.7 mtpt -83.02 16.86 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 t -38.45 -36.87 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.1 t -92.3 144.96 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.6 t -88.55 124.36 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.1 t -41.62 137.05 1.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.659 ' HA ' HD12 ' A' ' 72' ' ' LEU . 12.2 ptpt -88.11 -22.02 24.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -77.27 -52.4 9.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.564 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 11.4 t90 -55.21 -37.6 67.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 69' ' ' LYS . 46.1 mt -50.88 -44.58 59.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.6 mmt-85 -98.41 17.15 19.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 59.35 50.84 63.44 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.1 mt -128.07 24.85 5.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.3 t -125.34 145.06 50.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.403 ' HD3' ' O ' ' A' ' 77' ' ' LYS . 1.6 tmtp? -130.24 30.12 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -102.7 -40.48 6.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.13 -99.2 0.13 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -85.46 -3.89 58.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.727 0.299 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -96.57 -17.76 20.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.1 t -60.83 166.0 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.28 -2.87 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -119.89 166.26 13.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 64' ' ' LYS . 15.2 mt -71.82 142.43 49.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.564 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 8.6 m170 -111.52 25.08 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -130.41 128.18 40.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.95 103.9 0.4 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.93 110.36 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.5 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 0.0 OUTLIER -53.84 -13.36 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.2 p -102.53 -47.15 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.496 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 4.1 mmpt? -83.09 25.66 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.5 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 8.8 ptm -120.9 153.36 57.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.58 0.705 . . . . 0.0 110.886 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 135.06 29.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.726 2.284 . . . . 0.0 112.328 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -64.14 167.1 6.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.7 t -60.85 112.73 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -51.12 -33.02 24.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -70.61 -66.07 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -60.74 -15.82 33.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.5 t -92.0 -25.44 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -103.53 -64.07 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -82.85 -27.89 30.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 74.12 33.18 57.47 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -148.6 113.53 5.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.932 0.396 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.8 t -139.52 131.4 27.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.8 m -107.44 44.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -114.0 97.16 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -57.85 -29.26 64.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -119.49 48.14 1.57 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.7 t -74.07 121.66 85.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.58 0.705 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 3.69 2.61 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.698 2.265 . . . . 0.0 112.376 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -106.8 175.18 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.9 mp -90.68 137.03 32.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 9.4 m170 -113.15 95.35 5.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 77.1 mt -108.35 141.65 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 5.9 t70 -72.4 140.39 82.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 54.1 Cg_endo -69.78 3.15 2.95 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.724 2.283 . . . . 0.0 112.37 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -100.63 -19.22 16.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -89.07 -28.46 20.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -89.47 48.34 1.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 8.7 mm -109.32 141.41 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -103.32 -31.48 10.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -83.21 45.38 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 28.6 p -127.6 152.98 77.54 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.551 0.691 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.489 ' HG2' ' CZ3' ' A' ' 126' ' ' TRP . 53.5 Cg_endo -69.78 0.41 5.71 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.489 ' CZ3' ' HG2' ' A' ' 125' ' ' PRO . 2.7 m95 -92.83 99.9 12.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.8 t -70.69 89.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.45 -150.47 45.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.456 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -13.56 34.82 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.3 m -113.68 130.06 56.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 80.7 p -105.84 106.42 16.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.51 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 m -128.16 173.28 10.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 110.872 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.3 m -90.75 -32.67 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.24 85.77 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.8 t -40.27 -43.69 1.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.2 p -42.92 119.87 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -111.51 108.76 2.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -78.69 178.26 8.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 66' ' ' VAL . 26.3 mtpt -69.7 0.55 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.473 HG23 HG23 ' A' ' 66' ' ' VAL . 9.3 t -32.65 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 64' ' ' LYS . 49.4 t -91.61 142.0 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.6 t -85.86 121.38 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.8 t -40.93 136.23 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.666 ' HA ' HD12 ' A' ' 72' ' ' LEU . 3.3 ptpp? -82.37 -29.21 31.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -71.47 -60.62 2.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.818 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.495 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 6.3 t90 -42.67 -40.43 2.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 69' ' ' LYS . 28.5 mt -41.78 -65.67 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.456 ' HB2' HD23 ' A' ' 75' ' ' LEU . 9.4 mpt_? -86.62 11.96 11.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.675 ' C ' HD22 ' A' ' 75' ' ' LEU . . . 72.31 52.12 11.54 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.675 HD22 ' C ' ' A' ' 74' ' ' GLY . 2.3 mm? -119.57 26.44 9.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.1 t -131.63 141.91 49.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -122.31 29.03 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -105.95 -63.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.495 ' HA2' ' CE1' ' A' ' 86' ' ' HIS . . . 81.94 -103.24 2.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.401 ' HB3' ' NE2' ' A' ' 81' ' ' GLN . 16.8 t70 -77.58 -9.84 59.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.401 ' NE2' ' HB3' ' A' ' 80' ' ' ASP . 6.6 mp0 -94.96 -24.04 17.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 17.4 t -50.41 165.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.445 ' CD ' ' CE1' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -99.23 -11.22 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.445 ' CE1' ' CD ' ' A' ' 83' ' ' GLU . 97.1 m-85 -113.7 165.31 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 64' ' ' LYS . 19.2 mt -72.87 143.83 47.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.495 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 13.9 m170 -110.93 25.39 11.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -126.47 135.8 51.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -78.03 103.32 7.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -126.5 124.42 40.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.487 ' O ' HD21 ' A' ' 113' ' ' LEU . 80.6 mmm -64.34 -13.43 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 82.4 p -97.95 -53.54 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -64.12 -40.48 96.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 17.8 ptm -60.5 150.98 72.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.71 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.38 60.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.656 2.238 . . . . 0.0 112.384 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -78.47 169.03 18.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.478 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 12.8 t -57.69 115.44 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -51.7 -38.29 54.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -70.7 -64.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.408 ' O ' ' HA2' ' A' ' 103' ' ' GLY . 3.2 t80 -58.82 -14.39 8.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.965 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.5 p -92.18 -34.37 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -93.55 -65.31 1.0 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -80.85 -34.57 33.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 99' ' ' TYR . . . 80.42 35.57 25.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.44 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -150.35 111.93 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.3 t -139.5 131.72 28.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.7 t -107.07 40.18 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.419 ' CB ' ' HB2' ' A' ' 110' ' ' CYS . 8.8 m-20 -103.63 114.28 28.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -69.19 -41.98 76.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -110.83 46.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.419 ' HB2' ' CB ' ' A' ' 107' ' ' ASN . 2.0 t -73.14 116.55 51.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 7.54 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.716 2.278 . . . . 0.0 112.324 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.478 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 38.8 m-85 -109.84 149.84 29.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.524 ' H ' HD12 ' A' ' 113' ' ' LEU . 5.7 mp -67.03 134.94 52.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.555 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.3 m170 -113.38 97.0 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 76.6 mt -109.06 140.78 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.428 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 4.8 t70 -63.61 141.19 97.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.634 0.73 . . . . 0.0 110.819 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 54.3 Cg_endo -69.76 1.82 4.09 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -97.01 -33.17 11.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.2 m -87.28 13.91 8.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -127.26 36.05 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 35.7 mm -90.77 138.85 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -89.91 -46.79 8.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -100.63 56.7 0.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 21.0 p -87.11 142.09 33.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.555 ' HG2' ' CE3' ' A' ' 126' ' ' TRP . 53.6 Cg_endo -69.73 3.5 2.72 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.234 . . . . 0.0 112.328 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.555 ' CE3' ' HG2' ' A' ' 125' ' ' PRO . 0.3 OUTLIER -137.07 115.93 12.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.955 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 86.5 p -105.43 119.75 39.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 101.85 -154.95 18.78 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -48.97 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.655 2.237 . . . . 0.0 112.384 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 80.9 p -135.62 151.93 50.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 93.0 p -75.23 99.64 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.495 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.0 t 58.89 42.21 20.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.855 0.36 . . . . 0.0 110.836 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.2 t -92.24 26.82 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.58 146.05 7.15 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -49.94 171.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.39 . . . . 0.0 110.825 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.2 m -130.47 86.53 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -150.64 41.49 0.78 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -88.82 -178.11 5.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.378 . . . . 0.0 110.923 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 66' ' ' VAL . 43.8 mtpt -72.25 2.2 6.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.486 ' C ' ' O ' ' A' ' 64' ' ' LYS . 4.7 t -31.29 -37.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 64' ' ' LYS . 42.6 t -87.24 138.17 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.3 t -83.05 124.2 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 15.0 t -41.4 141.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.762 ' HA ' HD12 ' A' ' 72' ' ' LEU . 14.5 ptpt -88.17 -31.05 19.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -71.38 -57.52 4.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.44 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 7.2 t90 -47.08 -38.56 11.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.762 HD12 ' HA ' ' A' ' 69' ' ' LYS . 26.8 mt -44.88 -53.76 7.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.41 ' O ' HD12 ' A' ' 75' ' ' LEU . 56.6 mtm180 -94.36 12.43 27.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.37 51.36 22.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 73' ' ' ARG . 7.0 mp -124.89 31.48 5.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.8 t -134.43 132.56 39.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.92 25.68 11.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -100.98 -55.83 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.486 ' HA2' ' CE1' ' A' ' 86' ' ' HIS . . . 72.5 -98.17 0.82 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.68 -11.23 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -91.44 -23.87 19.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 15.6 t -50.02 163.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -100.82 1.08 39.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -123.52 168.21 12.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.49 HD11 ' HD3' ' A' ' 92' ' ' LYS . 21.2 mt -75.5 138.59 41.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.486 ' CE1' ' HA2' ' A' ' 79' ' ' GLY . 10.9 m170 -106.99 26.0 10.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -124.87 138.36 54.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -80.22 103.71 10.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -126.21 124.94 41.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.475 ' HE3' ' SD ' ' A' ' 93' ' ' MET . 0.0 OUTLIER -64.99 -7.91 13.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.9 p -105.7 -54.46 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.49 ' HD3' HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -64.18 -38.99 93.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.475 ' SD ' ' HE3' ' A' ' 90' ' ' MET . 19.5 ptm -59.92 152.27 60.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.709 . . . . 0.0 110.88 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 156.18 64.09 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -75.68 161.69 28.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 100' ' ' SER . 12.4 t -53.05 112.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.63 -39.03 49.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -68.48 -66.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.403 ' O ' ' HA2' ' A' ' 103' ' ' GLY . 3.9 t80 -58.89 -14.31 8.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.416 ' HB3' ' O ' ' A' ' 96' ' ' CYS . 10.8 t -89.3 -36.71 15.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -94.81 -65.21 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -77.55 -36.19 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.416 ' C ' ' HG2' ' A' ' 104' ' ' GLU . . . 80.29 33.25 32.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.512 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.416 ' HG2' ' C ' ' A' ' 103' ' ' GLY . 36.8 mm-40 -147.71 112.1 5.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.3 t -139.47 116.98 11.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.8 p -90.72 42.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -120.07 97.82 5.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -61.91 -41.12 97.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -97.93 42.04 1.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.4 t -75.86 120.9 83.73 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.581 0.705 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 5.68 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.64 2.227 . . . . 0.0 112.375 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -107.85 161.62 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.416 HD21 ' O ' ' A' ' 90' ' ' MET . 5.3 mp -76.77 134.0 39.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.4 m170 -113.09 94.73 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 78.4 mt -101.16 135.2 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -65.02 139.81 97.9 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.854 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 1.97 3.99 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.656 2.238 . . . . 0.0 112.309 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -94.24 -27.73 16.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t -81.52 -34.43 31.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -84.46 82.99 8.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 14.5 mm -127.54 142.42 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.16 -40.93 3.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.17 -66.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.4 m -49.13 163.08 0.36 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.57 0.7 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.56 ' HG2' ' CZ3' ' A' ' 126' ' ' TRP . 53.5 Cg_endo -69.78 3.3 2.86 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.271 . . . . 0.0 112.349 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.56 ' CZ3' ' HG2' ' A' ' 125' ' ' PRO . 2.6 m95 -94.09 104.99 17.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.0 t -129.53 -46.3 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 164.86 -96.16 0.13 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -1.8 9.08 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 74.4 m -134.47 42.74 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 t -94.86 83.96 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.482 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.7 p -124.55 -43.79 2.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.904 0.383 . . . . 0.0 110.892 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 t -105.19 -30.52 9.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.13 160.29 24.38 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.532 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.7 p -95.23 171.37 8.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.38 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.5 p -76.46 145.1 39.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -111.19 63.81 0.27 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -58.94 -177.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.579 ' O ' HD12 ' A' ' 85' ' ' LEU . 40.9 mtpt -84.09 17.72 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -38.25 -35.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.4 t -95.82 141.08 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.168 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 85' ' ' LEU . 43.4 t -85.13 126.85 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.8 t -41.31 138.38 1.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.784 ' HA ' HD12 ' A' ' 72' ' ' LEU . 15.3 ptpt -88.73 -24.55 22.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -74.89 -55.59 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.559 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 4.7 t90 -52.02 -37.46 53.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.784 HD12 ' HA ' ' A' ' 69' ' ' LYS . 21.2 mt -49.88 -45.26 50.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -97.43 9.57 42.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.83 46.98 50.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.449 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.1 mt -124.19 29.76 6.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.3 t -134.24 146.47 50.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.06 37.61 3.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -104.86 -39.02 6.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.6 -109.1 2.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.5 -4.2 58.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.773 0.32 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -89.25 -24.17 22.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 7.0 t -49.0 164.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.71 -1.25 43.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -125.05 170.78 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 64' ' ' LYS . 16.3 mt -76.44 132.95 39.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.559 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 10.8 m170 -102.94 22.12 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -126.48 126.76 44.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -61.97 103.87 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -125.88 103.54 7.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.498 ' HE2' ' SD ' ' A' ' 93' ' ' MET . 0.6 OUTLIER -46.99 -20.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.7 p -92.95 -45.01 8.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.494 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 4.7 mmpt? -87.33 26.09 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.498 ' SD ' ' HE2' ' A' ' 90' ' ' MET . 10.1 ptm -120.26 150.89 52.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.901 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 134.31 27.73 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.668 2.245 . . . . 0.0 112.382 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.411 ' CD ' ' H ' ' A' ' 95' ' ' GLU . 27.4 mp0 -62.61 174.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.0 t -65.14 115.64 5.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 1.2 t80 -53.25 -32.93 50.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -72.68 -64.35 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -60.98 -17.76 53.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.1 p -89.55 -24.2 21.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -105.06 -63.99 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -82.54 -32.75 28.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.31 33.11 36.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -149.17 113.42 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.39 126.45 21.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 91.4 p -98.79 43.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -112.68 95.18 5.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -55.67 -41.79 74.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -108.43 47.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.97 120.57 80.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.733 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 3.64 2.66 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -104.36 179.71 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.445 HD11 ' HG2' ' A' ' 93' ' ' MET . 5.3 mp -97.66 136.09 38.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 15.1 m170 -111.77 99.92 8.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 58.8 mt -104.73 135.04 44.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.18 138.39 88.23 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -2.84 10.83 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -100.9 -21.58 15.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.0 m -94.34 7.3 45.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -116.19 -11.19 11.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 31.9 mm -42.87 134.36 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -76.82 -42.05 41.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -82.03 52.55 2.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 17.1 m -161.14 145.43 10.17 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.565 0.698 . . . . 0.0 110.908 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.466 ' HG2' ' CZ3' ' A' ' 126' ' ' TRP . 53.9 Cg_endo -69.72 -4.61 14.35 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.466 ' CZ3' ' HG2' ' A' ' 125' ' ' PRO . 2.8 m95 -85.66 101.22 12.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 128' ' ' GLY . 89.9 p -175.14 178.24 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 127' ' ' SER . . . 34.78 -118.97 0.3 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -39.08 6.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.8 t -63.22 -175.26 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.0 p 65.67 30.32 10.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.48 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.5 t -98.56 143.31 29.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.381 . . . . 0.0 110.853 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.5 t -111.74 26.46 10.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.83 56.9 0.49 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.516 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.5 p -86.66 93.63 9.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.915 0.388 . . . . 0.0 110.862 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.7 p -82.42 99.96 9.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.25 170.68 16.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -72.66 -176.85 2.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.557 ' O ' HD12 ' A' ' 85' ' ' LEU . 33.6 mtpt -68.17 -1.15 5.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.459 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.7 t -33.43 -36.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 64' ' ' LYS . 39.8 t -88.73 140.46 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 82.8 t -82.81 133.02 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 9.4 t -51.74 141.91 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.795 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -88.29 -21.17 24.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -79.24 -57.49 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.457 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 8.0 t90 -49.82 -37.5 30.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.795 HD12 ' HA ' ' A' ' 69' ' ' LYS . 28.5 mt -45.82 -47.28 15.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.497 ' O ' HD12 ' A' ' 75' ' ' LEU . 7.0 mmm180 -104.55 16.06 26.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.22 51.08 40.7 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.463 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 73' ' ' ARG . 7.2 mp -121.85 24.03 9.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.879 0.371 . . . . 0.0 110.927 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.35 153.57 46.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -134.35 26.13 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 82' ' ' CYS . 49.6 mtpt -99.25 -42.16 7.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.61 -112.27 3.65 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.425 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -85.83 -2.54 58.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.751 0.31 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 78' ' ' LYS . 2.3 mp0 -92.3 -22.96 19.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.467 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . 17.4 t -48.71 160.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.52 0.34 57.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -126.14 167.46 15.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 64' ' ' LYS . 12.3 mt -76.03 136.38 39.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.457 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 17.6 m170 -106.63 25.42 11.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.422 ' CD ' ' HB2' ' A' ' 89' ' ' ASP . 0.3 OUTLIER -130.19 121.39 26.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.873 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -61.46 104.13 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.422 ' HB2' ' CD ' ' A' ' 87' ' ' GLU . 6.0 t0 -126.18 107.08 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 58.4 mmm -44.24 -22.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.401 ' N ' ' C ' ' A' ' 89' ' ' ASP . 41.7 p -92.48 -50.43 5.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 7.8 mmpt? -83.06 29.92 0.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.518 ' CG ' HD11 ' A' ' 113' ' ' LEU . 10.0 ptm -119.8 152.88 54.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.711 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 128.29 15.83 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -55.78 169.15 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.2 t -61.12 112.58 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.515 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -51.21 -32.68 24.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -73.04 -63.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -63.44 -15.0 56.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.0 t -91.5 -27.13 18.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.8 -64.14 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.965 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -80.51 -29.84 37.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.3 29.58 59.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -145.43 112.73 6.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.849 0.357 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.3 t -139.46 116.08 10.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.4 m -91.9 40.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.792 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -104.5 123.08 46.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -80.79 -39.92 25.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -111.49 46.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.6 t -72.57 117.38 58.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.46 2.73 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.646 2.23 . . . . 0.0 112.36 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -104.07 167.52 9.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.518 HD11 ' CG ' ' A' ' 93' ' ' MET . 5.2 mp -83.98 136.83 33.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.58 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.9 m170 -113.43 99.03 7.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 59.2 mt -113.79 137.15 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 4.5 t70 -72.91 141.15 81.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.678 0.751 . . . . 0.0 110.832 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 54.1 Cg_endo -69.76 3.13 2.95 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.645 2.23 . . . . 0.0 112.375 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.606 ' HA ' HD12 ' A' ' 121' ' ' ILE . 13.1 mt-10 -98.15 -41.42 7.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.4 t -58.74 -24.23 61.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -92.04 49.03 1.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.606 HD12 ' HA ' ' A' ' 118' ' ' GLU . 66.3 mt -144.23 138.54 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.115 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 124' ' ' CYS . 3.8 tppp? -91.86 -66.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.96 76.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 122' ' ' LYS . 7.1 p -138.94 150.14 64.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 0.0 110.866 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.575 ' HG2' ' CE3' ' A' ' 126' ' ' TRP . 53.9 Cg_endo -69.8 1.66 4.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.575 ' CE3' ' HG2' ' A' ' 125' ' ' PRO . 0.2 OUTLIER -132.95 107.72 8.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 65.6 m -54.54 177.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.484 ' N ' ' HD2' ' A' ' 129' ' ' PRO . . . -63.4 -59.16 9.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 128' ' ' GLY . 53.9 Cg_endo -69.72 -46.47 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.252 . . . . 0.0 112.381 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 131' ' ' SER . 31.3 t -173.85 143.46 0.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 130' ' ' SER . 13.2 t -34.68 -54.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.503 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.5 m -59.08 110.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.91 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.9 m -94.75 25.53 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.84 168.98 28.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.3 t -77.26 132.39 38.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 110.844 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 80.9 p -59.79 144.43 48.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.15 28.49 25.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.537 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -67.08 -178.13 0.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 66' ' ' VAL . 29.0 mtpt -79.31 12.85 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.8 t -36.78 -29.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 64' ' ' LYS . 24.5 t -104.91 147.68 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 85' ' ' LEU . 89.1 t -86.7 131.21 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 9.3 t -48.54 135.86 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.478 ' HA ' HD12 ' A' ' 72' ' ' LEU . 4.4 ptmt -86.73 -20.18 28.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -79.46 -50.24 11.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.497 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 10.5 t90 -55.62 -37.36 68.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 69' ' ' LYS . 40.6 mt -47.78 -51.05 23.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.4 mtt180 -93.52 15.66 15.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.91 51.61 55.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 80.9 mt -125.31 23.27 7.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.0 t -125.54 147.46 49.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' A' ' 77' ' ' LYS . 0.3 OUTLIER -131.65 35.6 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -107.18 -38.89 5.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.84 -93.03 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -92.43 -2.04 56.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.73 0.3 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -98.36 -15.96 19.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 6.4 t -60.95 165.81 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 0.9 OUTLIER -103.36 -5.01 23.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.475 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 96.9 m-85 -118.23 163.38 16.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.505 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 20.5 mt -70.2 137.74 51.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.497 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 9.7 m170 -106.8 17.16 23.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -118.15 126.92 53.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.55 104.82 0.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.412 ' O ' ' SD ' ' A' ' 93' ' ' MET . 1.6 m-20 -120.7 144.84 48.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.486 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 0.9 OUTLIER -84.51 -18.96 34.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.1 p -104.94 -39.83 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.505 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 6.4 mmpt? -80.89 18.59 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.486 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 20.4 ptm -121.27 150.23 53.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.561 0.696 . . . . 0.0 110.885 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 138.87 38.76 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.378 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.628 ' HG2' HD12 ' A' ' 115' ' ' ILE . 6.5 mp0 -57.25 168.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 23.1 t -55.7 114.27 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -49.32 -34.59 15.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -72.62 -66.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -58.14 -18.02 22.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.8 t -91.55 -23.04 20.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -104.9 -65.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -82.64 -28.24 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 74.82 31.64 57.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -148.65 113.55 5.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.7 t -139.46 125.05 19.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.5 p -101.91 45.06 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -109.08 124.55 50.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -82.88 -27.94 30.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -122.56 44.84 2.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.9 t -69.69 119.25 69.85 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.666 0.746 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 4.05 2.41 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.653 2.235 . . . . 0.0 112.372 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -106.14 179.18 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.8 mp -96.18 137.72 34.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 10.2 m170 -112.79 95.85 5.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.628 HD12 ' HG2' ' A' ' 95' ' ' GLU . 79.9 mt -105.91 132.42 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 5.9 t70 -70.04 140.57 88.5 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.61 0.719 . . . . 0.0 110.837 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 54.1 Cg_endo -69.79 2.22 3.75 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.318 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -104.79 -18.1 14.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.9 p -83.99 -30.56 26.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -85.47 38.81 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 25.1 mm -105.12 134.7 45.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -52.37 8.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -48.29 -55.36 10.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.8 m -45.37 156.14 0.41 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.604 0.716 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.501 ' HG2' ' CZ3' ' A' ' 126' ' ' TRP . 53.8 Cg_endo -69.76 -18.12 37.18 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.244 . . . . 0.0 112.345 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.501 ' CZ3' ' HG2' ' A' ' 125' ' ' PRO . 2.5 m95 -63.55 118.32 8.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.5 t -94.72 62.29 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 102.59 -161.56 16.87 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -5.45 16.21 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.734 2.29 . . . . 0.0 112.329 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 71.0 m -137.27 106.44 6.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.8 m -88.82 42.63 1.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.15 -0.805 . . . . 0.0 112.507 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.2 m -50.08 168.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.864 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.5 m -94.15 26.72 3.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.816 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.61 92.31 0.13 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.2 m -108.56 80.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.88 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.2 m -138.1 151.65 48.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -127.33 79.73 0.37 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -52.32 177.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.963 0.411 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.561 ' O ' HD12 ' A' ' 85' ' ' LEU . 40.5 mtpt -71.72 1.2 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.932 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.467 ' C ' ' O ' ' A' ' 64' ' ' LYS . 9.8 t -32.32 -41.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.441 ' N ' HG23 ' A' ' 65' ' ' THR . 35.6 t -84.86 134.34 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 92' ' ' LYS . 18.1 t -80.47 124.48 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.6 t -41.27 143.84 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 72' ' ' LEU . 11.4 ptpt -88.84 -31.8 18.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -69.85 -60.14 2.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.514 ' CZ3' HD23 ' A' ' 72' ' ' LEU . 3.1 t90 -43.62 -38.02 2.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 69' ' ' LYS . 35.3 mt -46.76 -47.72 20.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.604 ' HB2' HD13 ' A' ' 75' ' ' LEU . 21.9 mmt180 -100.9 14.41 31.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 66.56 47.14 71.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.604 HD13 ' HB2' ' A' ' 73' ' ' ARG . 9.6 mp -118.96 25.82 9.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.71 142.61 50.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -125.71 29.67 5.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -100.3 -42.76 6.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.84 -108.83 2.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -83.4 0.08 47.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -97.29 -19.92 18.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.7 t -55.37 164.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.72 -8.2 31.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -116.52 166.47 12.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 64' ' ' LYS . 11.3 mt -72.5 134.51 45.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.492 ' N ' ' OE2' ' A' ' 87' ' ' GLU . 9.4 m170 -104.2 30.03 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.492 ' OE2' ' N ' ' A' ' 86' ' ' HIS . 1.7 pm0 -137.33 126.2 24.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.24 103.98 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.95 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 91' ' ' THR . 16.7 m-20 -125.09 101.85 7.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -41.67 -25.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 89' ' ' ASP . 35.2 p -87.78 -46.01 9.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.494 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 3.7 mmpt? -89.61 31.87 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.414 ' HG3' HD11 ' A' ' 113' ' ' LEU . 0.5 OUTLIER -120.12 154.97 56.07 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.529 0.681 . . . . 0.0 110.88 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.41 ' O ' ' SD ' ' A' ' 93' ' ' MET . 54.4 Cg_endo -69.73 113.54 3.4 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.435 ' CB ' ' HB2' ' A' ' 113' ' ' LEU . 27.0 mp0 -50.65 175.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.483 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 12.6 t -64.62 106.58 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -47.06 -37.24 9.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -69.51 -63.6 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -63.02 -14.98 54.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.2 t -91.25 -26.74 18.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.94 -63.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -80.44 -30.62 37.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.65 34.16 49.95 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -148.97 111.88 4.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.0 t -139.59 128.78 23.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.8 p -102.47 43.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.437 ' CB ' ' HB2' ' A' ' 110' ' ' CYS . 17.4 m-20 -110.37 113.81 26.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -69.15 -44.31 72.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -108.57 47.28 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.437 ' HB2' ' CB ' ' A' ' 107' ' ' ASN . 4.1 t -72.95 117.15 57.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 4.67 2.06 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.653 2.235 . . . . 0.0 112.317 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.483 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 36.4 m-85 -105.25 160.04 15.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.435 ' HB2' ' CB ' ' A' ' 95' ' ' GLU . 5.7 mp -78.68 137.68 37.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 10.7 m170 -112.78 97.56 6.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 74.6 mt -106.59 132.75 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.416 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 2.5 t70 -69.28 140.22 90.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 53.2 Cg_endo -69.78 3.0 3.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.718 2.278 . . . . 0.0 112.332 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -102.8 -31.42 10.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.3 m -72.3 -38.12 68.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -66.77 -21.32 66.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.943 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.1 mm -43.58 146.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 123' ' ' ASP . 29.1 tttt -89.19 -56.2 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 122' ' ' LYS . 78.0 m-20 -35.28 -42.83 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 9.4 m -54.83 159.08 3.91 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.629 0.728 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.409 ' HG2' ' CZ3' ' A' ' 126' ' ' TRP . 53.3 Cg_endo -69.81 0.81 5.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.314 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.409 ' CZ3' ' HG2' ' A' ' 125' ' ' PRO . 3.5 m95 -88.95 135.23 33.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 75.7 p -76.78 -52.39 9.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 159.28 -86.65 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -42.72 3.15 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.325 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 93.4 p -101.76 79.54 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.0 p -161.08 168.27 24.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.48 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.4 m -88.0 83.92 7.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 110.857 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.9 m -80.41 -32.92 37.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.95 50.41 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.9 t -113.0 121.11 43.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.8 p -118.74 109.38 16.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.22 66.04 0.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.474 ' HG3' HG22 ' A' ' 65' ' ' THR . 8.4 pt-20 -68.94 174.47 4.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.915 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 65' ' ' THR . 36.1 mtpt -67.75 -2.79 7.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.474 HG22 ' HG3' ' A' ' 63' ' ' GLU . 7.3 t -33.16 -42.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.425 ' N ' HG23 ' A' ' 65' ' ' THR . 19.1 t -86.93 141.88 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.0 t -84.56 126.31 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.7 t -43.15 138.55 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.763 ' HA ' HD12 ' A' ' 72' ' ' LEU . 9.0 ptpp? -88.26 -23.79 23.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -77.61 -55.13 5.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.6 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 7.6 t90 -49.86 -35.87 24.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' A' ' 69' ' ' LYS . 28.6 mt -47.29 -47.14 25.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -101.08 16.99 23.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 60.97 52.11 54.39 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.4 mt -127.08 25.91 6.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 6.3 t -117.09 143.59 45.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.35 34.24 5.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -113.54 -48.01 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.65 -111.09 3.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.429 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -76.42 -11.37 59.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.757 0.313 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -87.87 -23.97 23.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.7 t -48.73 155.67 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.471 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 0.8 OUTLIER -93.68 -5.79 47.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 97.2 m-85 -116.91 162.44 17.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.43 HD11 ' HD3' ' A' ' 92' ' ' LYS . 15.7 mt -68.73 138.26 54.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.6 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 8.2 m170 -106.0 16.21 25.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.428 ' OE1' ' N ' ' A' ' 86' ' ' HIS . 1.6 pm0 -120.95 134.37 55.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -69.66 104.76 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 93' ' ' MET . 7.9 m-20 -120.54 114.7 22.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.838 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.682 ' O ' HD21 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -55.02 -11.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 31.7 p -103.94 -53.79 2.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.105 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.43 ' HD3' HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -63.97 -35.14 79.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.419 ' HG3' HD11 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -59.97 149.39 73.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 123.37 10.02 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.716 2.277 . . . . 0.0 112.288 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.53 ' HA ' HD13 ' A' ' 113' ' ' LEU . 5.7 mp0 -55.01 166.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.5 t -55.08 106.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -48.78 -33.96 11.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -70.88 -59.43 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.86 -14.93 63.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.9 t -89.65 -27.41 20.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -103.05 -64.16 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -81.13 -31.23 34.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.78 36.64 41.79 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -150.03 112.26 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.39 117.99 12.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -90.52 43.61 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -116.77 126.2 52.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -85.19 -43.47 13.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -100.43 41.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 5.6 t -72.05 116.44 48.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.675 0.75 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 5.05 1.86 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.311 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -102.29 175.95 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.682 HD21 ' O ' ' A' ' 90' ' ' MET . 5.4 mp -93.09 135.39 34.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 11.8 m170 -112.88 104.15 12.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 65.5 mt -120.2 128.03 75.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 4.1 t70 -65.63 140.32 97.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 53.4 Cg_endo -69.81 1.38 4.52 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.719 2.279 . . . . 0.0 112.302 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.457 ' O ' ' CD1' ' A' ' 121' ' ' ILE . 14.1 mt-10 -103.21 -23.39 13.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.5 m -95.42 22.47 6.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -126.13 30.13 5.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.457 ' CD1' ' O ' ' A' ' 118' ' ' GLU . 4.8 mp -115.05 141.2 32.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 123' ' ' ASP . 0.0 OUTLIER -112.15 -42.94 3.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.481 ' N ' ' HD3' ' A' ' 122' ' ' LYS . 33.8 t70 -44.37 -38.51 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 123' ' ' ASP . 20.2 p -37.89 145.14 0.32 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.628 0.728 . . . . 0.0 110.843 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -33.53 16.42 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.669 2.246 . . . . 0.0 112.329 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -38.99 102.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.7 m -159.05 176.11 12.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.74 -162.64 25.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.38 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.655 2.237 . . . . 0.0 112.333 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.6 t -98.79 82.29 2.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 77.7 p -97.19 83.71 3.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.495 -179.95 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.964 0.411 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.589 ' O ' HD12 ' A' ' 85' ' ' LEU . 37.4 mtpt -76.91 7.85 4.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.5 t -36.65 -36.83 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.0 t -93.13 141.77 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 85' ' ' LEU . 77.9 t -84.65 128.34 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 t -45.9 137.28 5.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.471 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -89.24 -18.25 27.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -81.08 -48.61 11.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.529 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 22.6 t90 -56.94 -38.08 72.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 69' ' ' LYS . 60.3 mt -48.65 -51.15 29.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -90.41 16.57 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 60.56 48.28 86.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.8 mt -123.66 27.77 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.2 t -130.76 137.55 49.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.63 29.42 7.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.433 ' O ' ' NE2' ' A' ' 81' ' ' GLN . 29.0 mtpp -100.45 -45.11 5.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 70.37 -111.39 3.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.523 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -81.14 -5.08 57.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.765 0.317 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.506 ' N ' ' CD ' ' A' ' 81' ' ' GLN . 1.9 mp0 -91.56 -23.47 19.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 12.3 t -48.95 166.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.35 2.85 45.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -129.86 168.05 17.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 64' ' ' LYS . 17.8 mt -74.38 138.26 43.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.529 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 12.1 m170 -106.9 24.8 12.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -122.98 134.58 54.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -74.82 103.86 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -125.31 130.97 53.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.498 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 3.1 mmt -69.38 -10.8 59.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 50.6 p -104.15 -50.01 3.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.477 ' HD3' ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -65.24 -41.75 94.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.498 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 13.8 ptm -62.55 150.43 86.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.541 0.686 . . . . 0.0 110.886 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 173.32 11.18 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 95' ' ' GLU . 1.6 mp0 -89.3 176.66 6.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 47.1 t -69.64 108.23 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -47.04 -33.84 5.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -71.04 -60.02 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -65.73 -15.61 62.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.928 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.2 t -91.06 -27.28 18.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.578 ' HD2' ' CD1' ' A' ' 102' ' ' PHE . 4.1 tmtt? -103.4 -63.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.944 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.578 ' CD1' ' HD2' ' A' ' 101' ' ' LYS . 2.7 m-85 -79.74 -30.86 40.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.18 30.41 58.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -148.71 113.19 5.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.956 0.408 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 5.6 t -139.6 115.2 10.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.7 t -89.74 45.23 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -110.15 125.05 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -86.02 -26.51 25.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -123.35 44.15 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.5 t -72.02 120.29 79.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.65 2.67 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.647 2.232 . . . . 0.0 112.321 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -105.91 166.38 10.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.3 mp -82.88 136.55 34.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 8.7 m170 -113.13 99.53 7.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 72.3 mt -109.67 132.77 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.7 t70 . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 0.0 110.862 179.883 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.912 0.387 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.637 ' O ' HD12 ' A' ' 85' ' ' LEU . 36.7 mtpt -74.66 7.8 2.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' LYS . 2.8 t -36.16 -32.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' LYS . 20.8 t -96.54 141.22 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.3 t -83.38 126.74 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.5 t -42.65 139.87 1.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.759 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -89.3 -22.37 22.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.954 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.419 ' ND1' ' HG2' ' A' ' 69' ' ' LYS . 8.1 m80 -78.58 -53.88 6.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -51.51 -37.55 49.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 69' ' ' LYS . 31.8 mt -46.76 -51.64 15.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -95.88 16.62 17.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.44 51.9 48.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 70.8 mt -124.53 28.53 6.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -133.38 148.37 51.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.92 26.45 3.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -97.09 -35.42 10.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.33 -102.47 0.54 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.498 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -90.51 2.41 55.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.749 0.309 . . . . 0.0 110.825 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -97.71 -18.79 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.8 t -58.51 160.03 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.69 -2.08 56.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -123.32 167.8 13.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.637 HD12 ' O ' ' A' ' 64' ' ' LYS . 12.1 mt -72.27 143.05 48.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -112.37 26.74 10.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -134.26 126.89 30.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -61.92 103.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -126.4 106.42 9.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.828 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 64.0 mmm -51.78 -16.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 32.8 p -97.31 -29.79 13.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.489 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -105.31 25.31 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.4 ptm -118.38 152.32 50.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.553 0.692 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 134.93 29.09 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.405 ' CD ' ' H ' ' A' ' 95' ' ' GLU . 11.3 mp0 -61.83 173.35 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 15.4 t -61.39 111.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.455 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -47.54 -36.64 10.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -70.67 -66.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -59.92 -15.03 18.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.9 t -90.88 -26.89 19.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -103.46 -64.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -81.24 -28.68 34.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.403 ' C ' ' HG2' ' A' ' 104' ' ' GLU . . . 74.09 32.48 58.46 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.512 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.403 ' HG2' ' C ' ' A' ' 103' ' ' GLY . 21.5 mm-40 -146.67 111.95 5.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.379 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.3 t -139.66 122.96 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.4 p -98.06 41.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -105.14 127.08 52.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -82.61 -42.15 18.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -110.91 46.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.6 t -72.4 118.0 63.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.6 0.714 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 3.68 2.65 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -105.41 159.28 16.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.427 ' H ' HD12 ' A' ' 113' ' ' LEU . 5.5 mp -76.69 135.78 39.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.5 m170 -112.7 95.81 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 74.4 mt -108.09 137.66 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.843 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.557 ' O ' HD12 ' A' ' 85' ' ' LEU . 39.1 mtpt -69.94 0.24 6.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.9 t -33.49 -38.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 64' ' ' LYS . 21.3 t -89.08 143.95 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.4 t -82.98 134.63 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.2 t -53.59 139.76 30.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.601 ' HA ' HD12 ' A' ' 72' ' ' LEU . 15.6 ptpt -85.76 -26.88 25.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -73.69 -53.4 10.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -51.18 -38.6 53.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 69' ' ' LYS . 45.9 mt -48.77 -50.05 35.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -93.84 20.57 7.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.31 51.97 50.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.515 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.7 mt -126.38 24.55 6.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.347 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 t -127.48 141.4 51.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -126.87 32.06 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -100.07 -34.08 10.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.43 -116.18 8.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.63 9.9 12.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -103.05 -21.92 13.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 12.1 t -51.13 163.92 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.52 -0.26 57.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -127.05 169.17 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 64' ' ' LYS . 13.8 mt -74.62 135.77 42.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.463 ' N ' ' OE2' ' A' ' 87' ' ' GLU . 12.2 m170 -105.13 21.6 16.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.463 ' OE2' ' N ' ' A' ' 86' ' ' HIS . 1.7 pm0 -125.07 133.79 52.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -73.43 107.59 5.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -125.89 135.78 52.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.52 ' O ' HD21 ' A' ' 113' ' ' LEU . 0.1 OUTLIER -72.45 -11.78 60.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.0 p -104.46 -53.36 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.519 ' HD3' HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -59.16 -45.39 91.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 14.9 ptm -60.57 154.41 55.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.534 0.683 . . . . 0.0 110.926 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 169.62 18.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.712 2.275 . . . . 0.0 112.35 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.484 ' N ' ' CD ' ' A' ' 95' ' ' GLU . 2.2 mp0 -93.52 168.21 11.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 100' ' ' SER . 3.4 t -63.46 116.81 5.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -54.16 -37.13 64.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -65.99 -69.05 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -59.12 -14.71 11.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 32.1 t -90.83 -28.31 18.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -102.67 -64.99 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -80.48 -27.85 37.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.33 35.35 56.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.459 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -149.05 112.44 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.927 0.394 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.5 t -139.55 120.54 14.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 58.0 m -94.86 39.33 1.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -112.26 114.68 27.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -75.11 -39.9 60.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -102.48 43.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.7 t -74.89 116.63 55.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.651 0.739 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 4.33 2.26 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.642 2.228 . . . . 0.0 112.318 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -105.3 167.25 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.52 HD21 ' O ' ' A' ' 90' ' ' MET . 5.6 mp -84.61 137.26 33.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.573 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 9.5 m170 -112.44 97.83 6.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 75.8 mt -100.47 131.47 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 110.84 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.896 0.379 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.503 ' O ' HD12 ' A' ' 85' ' ' LEU . 19.8 mtpt -72.64 2.48 6.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -32.46 -37.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 64' ' ' LYS . 38.3 t -85.42 135.04 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.083 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.7 t -78.6 132.2 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.5 t -53.81 137.49 38.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.797 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -84.07 -19.71 33.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -79.26 -57.35 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.407 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 6.3 t90 -48.95 -38.29 22.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.797 HD12 ' HA ' ' A' ' 69' ' ' LYS . 35.8 mt -45.35 -63.73 0.88 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -83.41 7.89 15.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.74 50.96 27.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.3 mp -120.95 19.64 11.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.18 151.81 36.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -134.4 22.46 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -93.55 -43.4 8.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.07 -99.67 0.88 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -95.04 4.7 53.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.784 0.326 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -101.08 -18.43 16.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 9.2 t -54.16 163.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.8 -0.17 43.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -124.99 165.68 17.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 64' ' ' LYS . 13.8 mt -71.73 137.51 47.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.407 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 11.1 m170 -104.84 18.12 22.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -118.85 140.45 49.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -81.58 103.5 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -126.29 122.46 35.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.845 ' O ' HD21 ' A' ' 113' ' ' LEU . 91.8 mmm -64.76 -7.62 11.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.1 p -103.19 -51.89 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.461 ' HD3' HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -68.04 -38.0 81.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.3 ptm -62.98 150.25 88.59 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.19 57.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.368 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.429 ' HG2' ' CD1' ' A' ' 115' ' ' ILE . 6.2 mp0 -83.53 165.31 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 100' ' ' SER . 3.3 t -52.01 117.83 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.537 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -55.27 -30.35 59.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -74.47 -65.22 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -61.81 -14.94 37.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 47.3 t -91.43 -29.04 17.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -100.81 -64.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -79.79 -32.62 40.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.52 30.76 43.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -145.54 111.98 5.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.2 t -139.66 116.61 11.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 t -92.9 44.18 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.4 ' CB ' ' HB2' ' A' ' 110' ' ' CYS . 86.9 m-20 -107.88 127.88 54.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -82.05 -45.9 14.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -109.82 47.83 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.4 ' HB2' ' CB ' ' A' ' 107' ' ' ASN . 5.7 t -70.49 118.85 68.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.644 0.735 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.56 2.71 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -107.43 155.64 19.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.845 HD21 ' O ' ' A' ' 90' ' ' MET . 5.1 mp -73.64 138.02 44.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.573 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.3 m170 -112.93 99.35 7.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.429 ' CD1' ' HG2' ' A' ' 95' ' ' GLU . 57.4 mt -109.45 139.26 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.586 0.708 . . . . 0.0 110.829 179.872 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.471 ' HG2' HG22 ' A' ' 65' ' ' THR . 15.8 pm0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.961 0.41 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.531 ' O ' HD12 ' A' ' 85' ' ' LEU . 37.5 mtpt -72.13 -0.69 12.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.471 HG22 ' HG2' ' A' ' 63' ' ' GLU . 10.1 t -33.64 -36.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' LYS . 42.9 t -88.09 138.49 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.2 t -82.91 126.77 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 9.4 t -45.44 132.22 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.561 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -85.06 -12.2 53.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -87.33 -50.7 6.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.476 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 5.0 t90 -57.46 -35.85 70.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 69' ' ' LYS . 36.7 mt -47.0 -50.62 18.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.545 ' HB2' HD13 ' A' ' 75' ' ' LEU . 78.5 mtm-85 -94.04 10.18 34.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.579 ' C ' HD12 ' A' ' 75' ' ' LEU . . . 69.51 50.66 30.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.454 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.579 HD12 ' C ' ' A' ' 74' ' ' GLY . 10.4 mp -124.07 27.36 7.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.902 0.382 . . . . 0.0 110.944 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.9 t -126.86 150.15 49.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.92 21.73 4.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -94.1 -48.1 6.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.49 -97.8 0.89 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -93.9 -0.49 55.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -96.86 -23.97 16.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.6 t -49.74 166.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.406 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -100.76 -2.88 31.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.406 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 95.6 m-85 -121.05 164.0 17.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 64' ' ' LYS . 16.3 mt -72.01 142.06 49.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.476 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 11.6 m170 -109.43 20.1 18.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.428 ' CD ' ' HB2' ' A' ' 89' ' ' ASP . 0.3 OUTLIER -119.46 135.3 54.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -73.06 105.72 4.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.428 ' HB2' ' CD ' ' A' ' 87' ' ' GLU . 2.5 t0 -126.16 122.89 36.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.05 -12.58 19.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.9 p -104.13 -50.79 3.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -43.36 84.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 13.9 ptm -59.72 148.69 74.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.558 0.695 . . . . 0.0 110.896 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 174.19 9.89 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.617 ' HG2' HD12 ' A' ' 115' ' ' ILE . 34.0 mp0 -85.41 169.6 13.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.0 t -58.45 124.25 18.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -57.64 -32.88 67.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -71.86 -70.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -53.38 -17.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.964 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 86.6 p -91.25 -29.88 16.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -101.67 -63.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -78.67 -29.96 45.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.28 30.39 58.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -149.5 113.12 5.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.939 0.4 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 5.1 t -139.53 114.75 9.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.2 t -90.84 40.78 1.03 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -117.17 98.74 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -64.25 -37.11 86.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -101.91 42.64 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.7 t -74.56 124.47 89.78 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.644 0.735 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 2.95 3.05 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.678 2.252 . . . . 0.0 112.399 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -107.5 174.54 5.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.5 mp -91.68 136.06 33.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 12.8 m170 -112.44 105.13 13.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.617 HD12 ' HG2' ' A' ' 95' ' ' GLU . 62.7 mt -117.82 139.21 45.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 0.0 110.863 179.869 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.958 0.409 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 66' ' ' VAL . 39.1 mtpt -68.83 0.03 4.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 64' ' ' LYS . 3.5 t -32.61 -35.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 64' ' ' LYS . 35.5 t -87.77 141.29 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.0 t -84.65 127.58 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.0 t -51.11 119.1 3.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.519 ' HA ' HD12 ' A' ' 72' ' ' LEU . 3.4 ptpt -70.87 -20.19 62.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -78.08 -58.92 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.837 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.521 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 6.7 t90 -47.71 -36.67 11.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 69' ' ' LYS . 33.9 mt -46.66 -56.76 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.409 ' C ' HD12 ' A' ' 75' ' ' LEU . 16.7 mmm-85 -92.25 12.78 21.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.06 51.92 26.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.409 HD12 ' C ' ' A' ' 73' ' ' ARG . 6.8 mp -119.91 23.38 11.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.9 t -126.72 151.87 47.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.02 24.13 3.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -98.57 -55.04 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.56 -107.88 2.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -82.31 -6.67 59.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.728 0.299 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.461 ' N ' ' CD ' ' A' ' 81' ' ' GLN . 1.7 mp0 -92.45 -23.72 19.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 12.0 t -48.65 165.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.74 0.63 39.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -125.22 165.5 18.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 64' ' ' LYS . 16.9 mt -73.67 138.49 44.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.521 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 12.3 m170 -105.69 22.66 15.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -123.47 137.08 54.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -76.51 103.72 6.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -126.39 134.37 51.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.806 ' O ' HD21 ' A' ' 113' ' ' LEU . 74.7 mmm -75.58 -11.13 59.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.1 p -103.84 -26.12 12.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -93.19 -42.11 9.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 15.4 ptm -60.08 153.37 56.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.646 0.736 . . . . 0.0 110.868 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 159.55 52.97 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.473 ' HG2' HD12 ' A' ' 115' ' ' ILE . 33.8 mp0 -81.01 173.17 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.422 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 7.9 t -64.1 115.86 5.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -51.49 -41.95 61.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -61.88 -62.04 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -60.35 -22.04 62.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.9 t -91.93 -13.29 31.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.594 ' HG3' ' CD2' ' A' ' 102' ' ' PHE . 2.7 tppt? -104.79 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.594 ' CD2' ' HG3' ' A' ' 101' ' ' LYS . 9.4 m-85 -94.7 -26.59 16.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.0 30.3 43.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -141.24 112.06 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.935 0.397 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.6 t -139.47 124.22 18.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.0 m -100.56 43.33 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -118.68 111.71 18.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -40.22 64.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -100.42 41.12 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.4 t -72.22 121.03 83.61 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 3.34 2.83 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.713 2.276 . . . . 0.0 112.34 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.422 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 20.7 m-85 -109.59 157.4 19.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.806 HD21 ' O ' ' A' ' 90' ' ' MET . 5.1 mp -75.09 138.51 42.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.1 m170 -113.05 96.42 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.809 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.473 HD12 ' HG2' ' A' ' 95' ' ' GLU . 82.2 mt -101.36 129.19 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.819 179.9 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.955 0.407 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.543 ' O ' HD12 ' A' ' 85' ' ' LEU . 39.5 mtpt -74.01 2.6 8.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.9 t -33.36 -36.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 64' ' ' LYS . 14.8 t -90.04 141.87 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 64.6 t -86.2 126.33 40.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.1 t -44.89 118.98 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.763 ' HA ' HD12 ' A' ' 72' ' ' LEU . 10.7 ptmt -69.27 -22.15 63.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.442 ' ND1' ' HG2' ' A' ' 69' ' ' LYS . 2.4 m80 -78.13 -66.33 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.601 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 3.4 t90 -40.41 -36.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' A' ' 69' ' ' LYS . 31.5 mt -43.44 -61.94 1.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.465 ' HB2' HD13 ' A' ' 75' ' ' LEU . 20.2 mtt85 -86.27 12.55 9.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.418 ' C ' HD12 ' A' ' 75' ' ' LEU . . . 70.09 51.8 21.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.465 HD13 ' HB2' ' A' ' 73' ' ' ARG . 7.2 mp -124.94 33.13 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.946 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.5 t -131.37 146.32 52.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -127.77 26.68 5.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -106.14 -58.44 1.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 86' ' ' HIS . . . 74.09 -108.56 2.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.536 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.485 ' OD2' ' NE2' ' A' ' 81' ' ' GLN . 1.0 OUTLIER -70.0 -15.58 63.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 110.859 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.485 ' NE2' ' OD2' ' A' ' 80' ' ' ASP . 16.9 mp0 -89.81 -23.62 21.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 9.3 t -50.83 165.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.29 2.8 31.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -125.76 166.62 16.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 64' ' ' LYS . 17.8 mt -74.42 141.26 45.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.601 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 16.5 m170 -110.63 22.12 15.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -120.78 138.07 54.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -78.39 103.52 8.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -126.38 123.06 37.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.928 ' O ' HD21 ' A' ' 113' ' ' LEU . 1.5 mmt -65.13 -9.42 22.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.2 p -103.03 -50.59 3.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -41.4 83.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.459 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 16.2 ptm -61.23 148.5 84.98 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 110.883 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 159.95 51.48 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.778 ' CD ' HD12 ' A' ' 115' ' ' ILE . 19.3 mt-10 -80.92 173.08 12.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.0 t -65.55 106.63 1.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -42.11 -34.34 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -71.26 -63.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -61.68 -16.21 46.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 t -91.19 -25.4 19.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.17 -62.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -83.5 -31.92 26.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 77.78 31.54 48.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.523 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -147.29 112.1 5.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.47 128.18 23.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.9 t -103.7 42.47 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -112.28 98.34 7.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -59.04 -40.71 85.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -103.03 43.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.8 t -77.23 115.99 53.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.651 0.738 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 3.67 2.64 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -104.85 151.06 24.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.928 HD21 ' O ' ' A' ' 90' ' ' MET . 4.6 mp -69.58 138.56 53.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.9 m170 -113.31 103.67 11.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.778 HD12 ' CD ' ' A' ' 95' ' ' GLU . 73.9 mt -111.41 128.68 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.4 t70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.617 0.722 . . . . 0.0 110.833 179.9 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.889 0.376 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.446 ' O ' HD12 ' A' ' 85' ' ' LEU . 34.8 mtpt -78.99 11.86 2.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -35.8 -37.02 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.1 t -92.0 144.98 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.8 t -87.55 129.69 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.8 t -48.06 140.07 7.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.552 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -88.82 -20.89 24.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -78.08 -57.93 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -48.73 -36.84 17.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 69' ' ' LYS . 32.9 mt -46.68 -45.41 19.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.532 ' HB2' HD13 ' A' ' 75' ' ' LEU . 18.1 mmt180 -102.93 11.54 37.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.48 41.45 76.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.532 HD13 ' HB2' ' A' ' 73' ' ' ARG . 9.1 mp -113.17 23.42 13.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.347 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.3 149.07 46.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -133.95 28.61 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -103.87 -35.93 7.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.66 -98.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -87.27 -0.39 56.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.25 -20.08 17.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.9 t -57.46 165.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.11 3.2 35.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -125.18 167.69 14.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.553 HD11 ' HD3' ' A' ' 92' ' ' LYS . 15.6 mt -73.23 141.23 47.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -110.59 26.62 10.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -131.68 127.89 37.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -62.79 103.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -124.88 117.82 24.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.589 ' O ' HD21 ' A' ' 113' ' ' LEU . 2.2 mmt -59.88 -26.26 65.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.3 p -87.77 -53.55 4.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.553 ' HD3' HD11 ' A' ' 85' ' ' LEU . 5.3 mmpt? -60.7 -46.23 91.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.507 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 9.3 ptm -59.82 147.36 79.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.58 0.705 . . . . 0.0 110.905 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.65 18.43 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.297 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.48 ' HG2' HD12 ' A' ' 115' ' ' ILE . 21.2 mp0 -88.48 177.0 6.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 23.8 t -63.12 110.8 1.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.577 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -46.82 -34.27 5.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -72.67 -66.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -57.77 -15.31 7.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.0 t -92.07 -28.95 16.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -102.33 -62.94 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -81.49 -27.63 34.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 72.08 34.0 61.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -149.99 112.65 4.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.946 0.403 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.526 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.4 127.09 21.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.0 t -102.23 36.88 2.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -102.63 117.64 35.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -76.08 -37.58 58.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -111.34 45.76 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.3 t -72.33 116.95 54.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.682 0.753 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 3.1 2.96 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -104.36 168.94 8.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.589 HD21 ' O ' ' A' ' 90' ' ' MET . 5.0 mp -85.57 136.74 33.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.526 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.6 m170 -112.5 98.2 7.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.48 HD12 ' HG2' ' A' ' 95' ' ' GLU . 64.8 mt -110.24 139.23 34.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.4 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.619 0.723 . . . . 0.0 110.841 179.879 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.926 0.393 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.628 ' O ' HD12 ' A' ' 85' ' ' LEU . 14.5 mtpt -73.58 3.39 6.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.7 t -34.43 -38.09 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.3 t -89.57 140.1 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 92' ' ' LYS . 43.5 t -83.08 125.96 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.6 t -42.85 141.14 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -87.86 -29.93 20.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -71.09 -53.08 15.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.593 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 31.8 t90 -53.43 -41.4 66.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.9 mt -49.61 -46.72 49.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -96.38 18.94 12.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 58.11 51.95 55.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.8 mt -128.91 28.21 5.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.873 0.368 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.1 t -130.44 150.54 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -133.12 25.13 4.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.496 ' O ' ' NE2' ' A' ' 81' ' ' GLN . 49.2 mttm -97.09 -37.05 10.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.84 -108.88 2.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.16 -1.02 54.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.757 0.313 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 78' ' ' LYS . 2.0 mp0 -93.73 -23.75 18.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 7.9 t -52.18 156.76 1.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.69 -3.13 58.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -120.94 167.22 12.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 64' ' ' LYS . 13.4 mt -75.14 137.36 41.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.593 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 14.3 m170 -106.26 27.26 8.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -130.22 127.1 38.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -67.4 102.93 1.18 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.407 ' C ' ' N ' ' A' ' 91' ' ' THR . 7.8 t0 -126.7 108.57 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.838 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.478 ' O ' HD21 ' A' ' 113' ' ' LEU . 82.1 mmm -43.85 -22.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.407 ' N ' ' C ' ' A' ' 89' ' ' ASP . 32.1 p -93.38 -49.88 5.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.519 ' HB3' HD13 ' A' ' 85' ' ' LEU . 7.9 mmpt? -82.54 25.07 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.932 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.4 ptm -120.38 153.27 55.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.565 0.697 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 134.4 27.92 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.293 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.1 169.57 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.469 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 10.7 t -57.86 112.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -49.91 -39.99 41.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -63.92 -60.3 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -60.76 -22.27 63.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.2 p -91.62 -15.46 28.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.6 ' HG3' ' CD2' ' A' ' 102' ' ' PHE . 6.1 tppt? -102.55 -65.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.6 ' CD2' ' HG3' ' A' ' 101' ' ' LYS . 9.3 m-85 -94.38 -27.56 15.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.97 31.18 40.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.455 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -143.41 111.98 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.924 0.392 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.62 124.22 18.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.0 p -100.16 44.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -111.27 121.16 44.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.99 -41.61 35.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -109.44 46.32 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.8 t -71.66 120.21 78.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.727 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 4.11 2.39 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.299 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.469 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 26.4 m-85 -108.44 156.3 19.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.489 ' H ' HD12 ' A' ' 113' ' ' LEU . 5.3 mp -74.48 135.71 42.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.8 m170 -113.07 94.73 5.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 87.6 mt -106.69 136.77 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.554 0.692 . . . . 0.0 110.877 179.882 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.928 0.394 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.42 ' O ' HD12 ' A' ' 85' ' ' LEU . 42.2 mtpt -81.61 16.5 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 92' ' ' LYS . 0.5 OUTLIER -40.98 -27.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 64' ' ' LYS . 55.8 t -103.67 143.53 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.3 t -84.69 126.37 40.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.8 t -43.51 139.14 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.588 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -89.14 -19.48 25.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -81.74 -56.43 4.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.442 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 2.9 t90 -49.17 -35.11 15.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 69' ' ' LYS . 32.3 mt -45.82 -55.08 7.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -93.99 20.01 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 62.81 51.98 51.74 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.5 mt -125.74 32.4 5.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.9 t -133.39 147.27 51.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -131.82 26.98 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.408 ' HB3' ' N ' ' A' ' 82' ' ' CYS . 39.9 mttp -100.61 -40.13 7.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.43 -90.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.471 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -92.36 -3.45 55.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -98.49 -14.56 19.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.408 ' N ' ' HB3' ' A' ' 78' ' ' LYS . 8.0 t -63.42 165.59 7.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.494 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 1.1 pt-20 -103.15 -6.28 22.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.494 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 89.5 m-85 -115.72 165.52 12.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.518 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 20.2 mt -72.99 140.0 47.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.442 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 10.5 m170 -107.82 18.73 20.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -121.14 129.76 53.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -65.79 103.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.417 ' O ' ' HB3' ' A' ' 93' ' ' MET . 0.9 OUTLIER -120.41 144.27 48.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.466 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 1.0 OUTLIER -83.96 -17.24 41.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 56.6 p -105.54 -40.04 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.187 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.518 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 6.9 mmpt? -81.44 18.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.466 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 21.8 ptm -121.74 150.54 55.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 138.16 37.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.751 2.3 . . . . 0.0 112.328 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.495 ' CD ' HD12 ' A' ' 115' ' ' ILE . 17.9 mt-10 -61.64 162.61 8.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.8 t -55.54 114.64 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -51.11 -37.47 46.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -66.13 -64.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -61.78 -16.08 46.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.4 t -89.74 -26.46 20.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -104.94 -64.85 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -78.83 -30.94 45.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.9 30.13 58.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.522 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -145.25 111.95 5.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.5 t -139.74 118.73 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.7 p -95.58 42.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.816 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -113.4 98.49 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -28.4 69.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -114.81 46.29 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.1 t -79.67 119.98 78.6 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.643 0.735 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 4.09 2.4 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -106.2 160.74 15.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.494 ' H ' HD12 ' A' ' 113' ' ' LEU . 5.0 mp -77.21 136.35 38.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.573 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 8.1 m170 -112.93 99.31 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.495 HD12 ' CD ' ' A' ' 95' ' ' GLU . 84.3 mt -110.77 138.52 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.1 t70 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 121.552 0.691 . . . . 0.0 110.875 179.843 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.908 0.385 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.599 ' O ' HD12 ' A' ' 85' ' ' LEU . 15.3 mtpt -73.83 3.44 6.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.462 ' C ' ' O ' ' A' ' 64' ' ' LYS . 5.0 t -33.08 -34.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 64' ' ' LYS . 38.9 t -91.66 142.79 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.5 t -83.93 129.65 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.4 t -46.19 142.33 2.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.585 ' HA ' HD12 ' A' ' 72' ' ' LEU . 9.0 ptpp? -89.03 -23.93 22.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -77.07 -56.56 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 14.1 t90 -50.79 -38.14 46.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 69' ' ' LYS . 31.1 mt -48.72 -47.74 41.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.4 mtt-85 -97.48 20.26 12.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 59.91 51.33 59.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.2 mt -128.79 31.53 4.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.17 144.48 48.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.438 ' HD3' ' N ' ' A' ' 77' ' ' LYS . 3.2 mppt? -128.4 19.11 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.449 ' HB3' ' N ' ' A' ' 82' ' ' CYS . 68.4 mttm -88.71 -46.08 9.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.32 -79.26 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -104.15 -2.32 25.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -99.86 -13.49 19.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.449 ' N ' ' HB3' ' A' ' 78' ' ' LYS . 7.3 t -62.64 166.03 5.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.22 -1.96 26.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -121.54 164.69 16.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 64' ' ' LYS . 14.3 mt -71.51 142.29 50.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -109.61 23.59 14.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -121.99 132.81 54.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -69.55 103.9 2.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.933 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.469 ' O ' ' CG ' ' A' ' 93' ' ' MET . 1.8 t70 -123.72 145.05 49.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.01 -18.38 55.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.1 p -105.21 -41.04 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.488 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 2.8 mmtp -79.13 15.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 89' ' ' ASP . 12.5 ptm -120.18 152.28 54.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.572 0.701 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 144.4 53.9 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 95' ' ' GLU . 15.8 mp0 -67.81 161.93 25.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.403 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 8.1 t -52.05 116.82 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -54.64 -31.25 57.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -75.08 -57.92 3.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -65.73 -16.79 64.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.6 p -92.08 -23.21 19.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -103.44 -64.8 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -84.21 -28.76 27.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.46 33.56 52.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -147.22 112.65 5.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.909 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.5 t -139.45 127.68 22.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 81.0 p -104.71 40.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -102.85 125.16 49.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -79.19 -40.43 30.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -113.54 46.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 2.0 t -71.13 117.48 56.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.51 2.72 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.403 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 15.4 m-85 -105.57 159.79 15.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.449 ' H ' HD12 ' A' ' 113' ' ' LEU . 5.4 mp -76.99 136.7 38.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.3 m170 -113.06 95.24 5.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 73.8 mt -110.06 138.06 39.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.546 0.688 . . . . 0.0 110.838 179.893 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.914 0.388 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.635 ' O ' HD12 ' A' ' 85' ' ' LEU . 20.3 mtpt -71.79 2.41 5.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.8 t -34.13 -33.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 64' ' ' LYS . 24.3 t -93.39 146.39 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.7 t -89.26 126.25 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.3 t -45.44 140.82 2.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -88.97 -24.42 22.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -76.23 -51.82 11.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.493 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 25.9 t90 -52.86 -39.89 62.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.1 mt -46.41 -51.65 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.553 ' HB2' HD13 ' A' ' 75' ' ' LEU . 26.4 mmt180 -91.8 7.56 41.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.589 ' C ' HD12 ' A' ' 75' ' ' LEU . . . 69.94 50.02 31.62 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.589 HD12 ' C ' ' A' ' 74' ' ' GLY . 9.0 mp -123.96 26.84 7.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.349 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.86 135.92 49.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -119.33 26.23 9.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 80' ' ' ASP . 55.1 mttm -97.96 -41.88 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.26 -79.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 78' ' ' LYS . 78.3 m-20 -98.94 -7.26 27.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.458 ' HA ' ' NE2' ' A' ' 81' ' ' GLN . 2.9 mm-40 -93.78 -23.58 18.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.463 ' N ' ' HB3' ' A' ' 78' ' ' LYS . 8.8 t -53.89 166.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.4 -1.33 21.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -119.9 167.82 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 64' ' ' LYS . 12.9 mt -72.82 138.51 46.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.493 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 7.6 m170 -107.1 20.18 19.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -119.92 137.86 53.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -76.73 103.95 6.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -123.21 145.03 48.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.868 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.483 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 0.9 OUTLIER -80.94 -16.54 53.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.0 p -105.38 -39.78 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.514 ' HB3' HD13 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -81.8 20.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.483 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 8.7 ptm -121.25 150.62 54.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 110.888 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.26 14.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.729 2.286 . . . . 0.0 112.331 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.411 ' CD ' ' H ' ' A' ' 95' ' ' GLU . 8.0 mp0 -51.38 173.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 16.2 t -67.47 110.29 3.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -46.7 -39.09 10.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -69.07 -70.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -55.99 -15.05 2.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.4 t -91.18 -30.38 16.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -101.67 -63.29 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -79.85 -30.46 40.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.51 34.04 51.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -150.24 113.04 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.902 0.382 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.5 t -139.43 121.67 15.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 75.5 p -95.94 38.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.833 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -111.43 111.18 22.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -74.03 -36.93 64.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -103.19 42.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.4 t -77.12 117.25 63.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.739 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 3.4 2.78 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.703 2.268 . . . . 0.0 112.377 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -101.49 171.09 7.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.5 mp -86.96 133.13 33.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 8.7 m170 -112.29 95.53 5.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 60.0 mt -109.5 143.17 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.0 t70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.604 0.716 . . . . 0.0 110.845 179.875 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.888 0.375 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.551 ' O ' HD12 ' A' ' 85' ' ' LEU . 29.7 mtpt -83.02 16.86 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 t -38.45 -36.87 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.1 t -92.3 144.96 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.6 t -88.55 124.36 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.1 t -41.62 137.05 1.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.659 ' HA ' HD12 ' A' ' 72' ' ' LEU . 12.2 ptpt -88.11 -22.02 24.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -77.27 -52.4 9.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.564 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 11.4 t90 -55.21 -37.6 67.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 69' ' ' LYS . 46.1 mt -50.88 -44.58 59.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.6 mmt-85 -98.41 17.15 19.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 59.35 50.84 63.44 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.1 mt -128.07 24.85 5.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.3 t -125.34 145.06 50.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.403 ' HD3' ' O ' ' A' ' 77' ' ' LYS . 1.6 tmtp? -130.24 30.12 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -102.7 -40.48 6.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.13 -99.2 0.13 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -85.46 -3.89 58.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.727 0.299 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -96.57 -17.76 20.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.1 t -60.83 166.0 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.28 -2.87 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -119.89 166.26 13.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 64' ' ' LYS . 15.2 mt -71.82 142.43 49.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.564 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 8.6 m170 -111.52 25.08 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -130.41 128.18 40.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.95 103.9 0.4 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.93 110.36 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.5 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 0.0 OUTLIER -53.84 -13.36 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.2 p -102.53 -47.15 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.496 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 4.1 mmpt? -83.09 25.66 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.5 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 8.8 ptm -120.9 153.36 57.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.58 0.705 . . . . 0.0 110.886 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 135.06 29.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.726 2.284 . . . . 0.0 112.328 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -64.14 167.1 6.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.7 t -60.85 112.73 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -51.12 -33.02 24.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -70.61 -66.07 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -60.74 -15.82 33.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.5 t -92.0 -25.44 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -103.53 -64.07 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -82.85 -27.89 30.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 74.12 33.18 57.47 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -148.6 113.53 5.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.932 0.396 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.8 t -139.52 131.4 27.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.8 m -107.44 44.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -114.0 97.16 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -57.85 -29.26 64.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -119.49 48.14 1.57 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.7 t -74.07 121.66 85.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.58 0.705 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 3.69 2.61 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.698 2.265 . . . . 0.0 112.376 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -106.8 175.18 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.9 mp -90.68 137.03 32.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 9.4 m170 -113.15 95.35 5.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 77.1 mt -108.35 141.65 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.9 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.887 179.839 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.869 0.366 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 66' ' ' VAL . 26.3 mtpt -69.7 0.55 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.473 HG23 HG23 ' A' ' 66' ' ' VAL . 9.3 t -32.65 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 64' ' ' LYS . 49.4 t -91.61 142.0 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.6 t -85.86 121.38 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.8 t -40.93 136.23 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.666 ' HA ' HD12 ' A' ' 72' ' ' LEU . 3.3 ptpp? -82.37 -29.21 31.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -71.47 -60.62 2.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.818 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.495 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 6.3 t90 -42.67 -40.43 2.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 69' ' ' LYS . 28.5 mt -41.78 -65.67 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.456 ' HB2' HD23 ' A' ' 75' ' ' LEU . 9.4 mpt_? -86.62 11.96 11.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.675 ' C ' HD22 ' A' ' 75' ' ' LEU . . . 72.31 52.12 11.54 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.675 HD22 ' C ' ' A' ' 74' ' ' GLY . 2.3 mm? -119.57 26.44 9.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.1 t -131.63 141.91 49.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -122.31 29.03 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -105.95 -63.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.495 ' HA2' ' CE1' ' A' ' 86' ' ' HIS . . . 81.94 -103.24 2.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.401 ' HB3' ' NE2' ' A' ' 81' ' ' GLN . 16.8 t70 -77.58 -9.84 59.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.401 ' NE2' ' HB3' ' A' ' 80' ' ' ASP . 6.6 mp0 -94.96 -24.04 17.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 17.4 t -50.41 165.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.445 ' CD ' ' CE1' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -99.23 -11.22 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.445 ' CE1' ' CD ' ' A' ' 83' ' ' GLU . 97.1 m-85 -113.7 165.31 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 64' ' ' LYS . 19.2 mt -72.87 143.83 47.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.495 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 13.9 m170 -110.93 25.39 11.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -126.47 135.8 51.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -78.03 103.32 7.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -126.5 124.42 40.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.487 ' O ' HD21 ' A' ' 113' ' ' LEU . 80.6 mmm -64.34 -13.43 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 82.4 p -97.95 -53.54 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -64.12 -40.48 96.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 17.8 ptm -60.5 150.98 72.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.71 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.38 60.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.656 2.238 . . . . 0.0 112.384 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -78.47 169.03 18.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.478 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 12.8 t -57.69 115.44 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -51.7 -38.29 54.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -70.7 -64.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.408 ' O ' ' HA2' ' A' ' 103' ' ' GLY . 3.2 t80 -58.82 -14.39 8.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.965 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.5 p -92.18 -34.37 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -93.55 -65.31 1.0 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -80.85 -34.57 33.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 99' ' ' TYR . . . 80.42 35.57 25.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.44 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -150.35 111.93 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.3 t -139.5 131.72 28.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.7 t -107.07 40.18 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.419 ' CB ' ' HB2' ' A' ' 110' ' ' CYS . 8.8 m-20 -103.63 114.28 28.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -69.19 -41.98 76.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -110.83 46.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.419 ' HB2' ' CB ' ' A' ' 107' ' ' ASN . 2.0 t -73.14 116.55 51.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 7.54 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.716 2.278 . . . . 0.0 112.324 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.478 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 38.8 m-85 -109.84 149.84 29.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.524 ' H ' HD12 ' A' ' 113' ' ' LEU . 5.7 mp -67.03 134.94 52.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.555 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.3 m170 -113.38 97.0 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 76.6 mt -109.06 140.78 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.8 t70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.634 0.73 . . . . 0.0 110.819 179.874 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.895 0.378 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 66' ' ' VAL . 43.8 mtpt -72.25 2.2 6.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.486 ' C ' ' O ' ' A' ' 64' ' ' LYS . 4.7 t -31.29 -37.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 64' ' ' LYS . 42.6 t -87.24 138.17 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.3 t -83.05 124.2 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 15.0 t -41.4 141.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.762 ' HA ' HD12 ' A' ' 72' ' ' LEU . 14.5 ptpt -88.17 -31.05 19.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -71.38 -57.52 4.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.44 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 7.2 t90 -47.08 -38.56 11.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.762 HD12 ' HA ' ' A' ' 69' ' ' LYS . 26.8 mt -44.88 -53.76 7.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.41 ' O ' HD12 ' A' ' 75' ' ' LEU . 56.6 mtm180 -94.36 12.43 27.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.37 51.36 22.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 73' ' ' ARG . 7.0 mp -124.89 31.48 5.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.8 t -134.43 132.56 39.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.92 25.68 11.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -100.98 -55.83 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.486 ' HA2' ' CE1' ' A' ' 86' ' ' HIS . . . 72.5 -98.17 0.82 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.68 -11.23 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -91.44 -23.87 19.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 15.6 t -50.02 163.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -100.82 1.08 39.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -123.52 168.21 12.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.49 HD11 ' HD3' ' A' ' 92' ' ' LYS . 21.2 mt -75.5 138.59 41.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.486 ' CE1' ' HA2' ' A' ' 79' ' ' GLY . 10.9 m170 -106.99 26.0 10.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -124.87 138.36 54.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -80.22 103.71 10.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -126.21 124.94 41.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.475 ' HE3' ' SD ' ' A' ' 93' ' ' MET . 0.0 OUTLIER -64.99 -7.91 13.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.9 p -105.7 -54.46 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.49 ' HD3' HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -64.18 -38.99 93.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.475 ' SD ' ' HE3' ' A' ' 90' ' ' MET . 19.5 ptm -59.92 152.27 60.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.709 . . . . 0.0 110.88 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 156.18 64.09 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -75.68 161.69 28.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 100' ' ' SER . 12.4 t -53.05 112.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.63 -39.03 49.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -68.48 -66.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.403 ' O ' ' HA2' ' A' ' 103' ' ' GLY . 3.9 t80 -58.89 -14.31 8.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.416 ' HB3' ' O ' ' A' ' 96' ' ' CYS . 10.8 t -89.3 -36.71 15.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -94.81 -65.21 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -77.55 -36.19 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.416 ' C ' ' HG2' ' A' ' 104' ' ' GLU . . . 80.29 33.25 32.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.512 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.416 ' HG2' ' C ' ' A' ' 103' ' ' GLY . 36.8 mm-40 -147.71 112.1 5.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.3 t -139.47 116.98 11.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.8 p -90.72 42.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -120.07 97.82 5.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -61.91 -41.12 97.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -97.93 42.04 1.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.4 t -75.86 120.9 83.73 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.581 0.705 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 5.68 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.64 2.227 . . . . 0.0 112.375 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -107.85 161.62 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.416 HD21 ' O ' ' A' ' 90' ' ' MET . 5.3 mp -76.77 134.0 39.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.4 m170 -113.09 94.73 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 78.4 mt -101.16 135.2 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.7 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.854 179.854 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.876 0.37 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.579 ' O ' HD12 ' A' ' 85' ' ' LEU . 40.9 mtpt -84.09 17.72 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -38.25 -35.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.4 t -95.82 141.08 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.168 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 85' ' ' LEU . 43.4 t -85.13 126.85 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.8 t -41.31 138.38 1.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.784 ' HA ' HD12 ' A' ' 72' ' ' LEU . 15.3 ptpt -88.73 -24.55 22.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -74.89 -55.59 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.559 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 4.7 t90 -52.02 -37.46 53.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.784 HD12 ' HA ' ' A' ' 69' ' ' LYS . 21.2 mt -49.88 -45.26 50.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -97.43 9.57 42.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.83 46.98 50.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.449 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.1 mt -124.19 29.76 6.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.3 t -134.24 146.47 50.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.06 37.61 3.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -104.86 -39.02 6.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.6 -109.1 2.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.5 -4.2 58.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.773 0.32 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -89.25 -24.17 22.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 7.0 t -49.0 164.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.71 -1.25 43.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -125.05 170.78 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 64' ' ' LYS . 16.3 mt -76.44 132.95 39.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.559 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 10.8 m170 -102.94 22.12 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -126.48 126.76 44.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -61.97 103.87 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -125.88 103.54 7.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.498 ' HE2' ' SD ' ' A' ' 93' ' ' MET . 0.6 OUTLIER -46.99 -20.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.7 p -92.95 -45.01 8.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.494 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 4.7 mmpt? -87.33 26.09 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.498 ' SD ' ' HE2' ' A' ' 90' ' ' MET . 10.1 ptm -120.26 150.89 52.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.901 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 134.31 27.73 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.668 2.245 . . . . 0.0 112.382 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.411 ' CD ' ' H ' ' A' ' 95' ' ' GLU . 27.4 mp0 -62.61 174.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.0 t -65.14 115.64 5.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 1.2 t80 -53.25 -32.93 50.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -72.68 -64.35 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -60.98 -17.76 53.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.1 p -89.55 -24.2 21.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -105.06 -63.99 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -82.54 -32.75 28.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.31 33.11 36.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -149.17 113.42 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.39 126.45 21.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 91.4 p -98.79 43.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -112.68 95.18 5.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -55.67 -41.79 74.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -108.43 47.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.97 120.57 80.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.733 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 3.64 2.66 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -104.36 179.71 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.445 HD11 ' HG2' ' A' ' 93' ' ' MET . 5.3 mp -97.66 136.09 38.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 15.1 m170 -111.77 99.92 8.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 58.8 mt -104.73 135.04 44.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 179.811 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.557 ' O ' HD12 ' A' ' 85' ' ' LEU . 33.6 mtpt -68.17 -1.15 5.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.459 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.7 t -33.43 -36.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 64' ' ' LYS . 39.8 t -88.73 140.46 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 82.8 t -82.81 133.02 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 9.4 t -51.74 141.91 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.795 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -88.29 -21.17 24.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -79.24 -57.49 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.457 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 8.0 t90 -49.82 -37.5 30.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.795 HD12 ' HA ' ' A' ' 69' ' ' LYS . 28.5 mt -45.82 -47.28 15.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.497 ' O ' HD12 ' A' ' 75' ' ' LEU . 7.0 mmm180 -104.55 16.06 26.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.22 51.08 40.7 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.463 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 73' ' ' ARG . 7.2 mp -121.85 24.03 9.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.879 0.371 . . . . 0.0 110.927 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.35 153.57 46.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -134.35 26.13 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 82' ' ' CYS . 49.6 mtpt -99.25 -42.16 7.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.61 -112.27 3.65 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.425 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -85.83 -2.54 58.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.751 0.31 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 78' ' ' LYS . 2.3 mp0 -92.3 -22.96 19.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.467 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . 17.4 t -48.71 160.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.52 0.34 57.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -126.14 167.46 15.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 64' ' ' LYS . 12.3 mt -76.03 136.38 39.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.457 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 17.6 m170 -106.63 25.42 11.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.422 ' CD ' ' HB2' ' A' ' 89' ' ' ASP . 0.3 OUTLIER -130.19 121.39 26.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.873 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -61.46 104.13 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.422 ' HB2' ' CD ' ' A' ' 87' ' ' GLU . 6.0 t0 -126.18 107.08 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 58.4 mmm -44.24 -22.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.401 ' N ' ' C ' ' A' ' 89' ' ' ASP . 41.7 p -92.48 -50.43 5.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 7.8 mmpt? -83.06 29.92 0.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.518 ' CG ' HD11 ' A' ' 113' ' ' LEU . 10.0 ptm -119.8 152.88 54.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.711 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 128.29 15.83 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -55.78 169.15 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.2 t -61.12 112.58 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.515 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -51.21 -32.68 24.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -73.04 -63.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -63.44 -15.0 56.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.0 t -91.5 -27.13 18.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.8 -64.14 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.965 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -80.51 -29.84 37.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.3 29.58 59.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -145.43 112.73 6.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.849 0.357 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.3 t -139.46 116.08 10.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.4 m -91.9 40.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.792 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -104.5 123.08 46.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -80.79 -39.92 25.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -111.49 46.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.6 t -72.57 117.38 58.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.46 2.73 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.646 2.23 . . . . 0.0 112.36 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -104.07 167.52 9.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.518 HD11 ' CG ' ' A' ' 93' ' ' MET . 5.2 mp -83.98 136.83 33.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.58 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.9 m170 -113.43 99.03 7.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 59.2 mt -113.79 137.15 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.678 0.751 . . . . 0.0 110.832 179.914 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.889 0.376 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 66' ' ' VAL . 29.0 mtpt -79.31 12.85 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.8 t -36.78 -29.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 64' ' ' LYS . 24.5 t -104.91 147.68 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 85' ' ' LEU . 89.1 t -86.7 131.21 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 9.3 t -48.54 135.86 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.478 ' HA ' HD12 ' A' ' 72' ' ' LEU . 4.4 ptmt -86.73 -20.18 28.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -79.46 -50.24 11.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.497 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 10.5 t90 -55.62 -37.36 68.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 69' ' ' LYS . 40.6 mt -47.78 -51.05 23.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.4 mtt180 -93.52 15.66 15.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.91 51.61 55.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 80.9 mt -125.31 23.27 7.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.0 t -125.54 147.46 49.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' A' ' 77' ' ' LYS . 0.3 OUTLIER -131.65 35.6 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -107.18 -38.89 5.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.84 -93.03 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -92.43 -2.04 56.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.73 0.3 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -98.36 -15.96 19.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 6.4 t -60.95 165.81 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 0.9 OUTLIER -103.36 -5.01 23.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.475 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 96.9 m-85 -118.23 163.38 16.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.505 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 20.5 mt -70.2 137.74 51.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.497 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 9.7 m170 -106.8 17.16 23.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -118.15 126.92 53.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.55 104.82 0.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.412 ' O ' ' SD ' ' A' ' 93' ' ' MET . 1.6 m-20 -120.7 144.84 48.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.486 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 0.9 OUTLIER -84.51 -18.96 34.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.1 p -104.94 -39.83 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.505 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 6.4 mmpt? -80.89 18.59 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.486 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 20.4 ptm -121.27 150.23 53.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.561 0.696 . . . . 0.0 110.885 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 138.87 38.76 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.378 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.628 ' HG2' HD12 ' A' ' 115' ' ' ILE . 6.5 mp0 -57.25 168.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 23.1 t -55.7 114.27 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -49.32 -34.59 15.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -72.62 -66.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -58.14 -18.02 22.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.8 t -91.55 -23.04 20.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -104.9 -65.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -82.64 -28.24 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 74.82 31.64 57.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -148.65 113.55 5.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.7 t -139.46 125.05 19.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.5 p -101.91 45.06 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -109.08 124.55 50.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -82.88 -27.94 30.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -122.56 44.84 2.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.9 t -69.69 119.25 69.85 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.666 0.746 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 4.05 2.41 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.653 2.235 . . . . 0.0 112.372 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -106.14 179.18 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.8 mp -96.18 137.72 34.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 10.2 m170 -112.79 95.85 5.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.628 HD12 ' HG2' ' A' ' 95' ' ' GLU . 79.9 mt -105.91 132.42 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.9 t70 . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 121.61 0.719 . . . . 0.0 110.837 179.87 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.963 0.411 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.561 ' O ' HD12 ' A' ' 85' ' ' LEU . 40.5 mtpt -71.72 1.2 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.932 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.467 ' C ' ' O ' ' A' ' 64' ' ' LYS . 9.8 t -32.32 -41.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.441 ' N ' HG23 ' A' ' 65' ' ' THR . 35.6 t -84.86 134.34 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 92' ' ' LYS . 18.1 t -80.47 124.48 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.6 t -41.27 143.84 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 72' ' ' LEU . 11.4 ptpt -88.84 -31.8 18.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -69.85 -60.14 2.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.514 ' CZ3' HD23 ' A' ' 72' ' ' LEU . 3.1 t90 -43.62 -38.02 2.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 69' ' ' LYS . 35.3 mt -46.76 -47.72 20.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.604 ' HB2' HD13 ' A' ' 75' ' ' LEU . 21.9 mmt180 -100.9 14.41 31.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 66.56 47.14 71.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.604 HD13 ' HB2' ' A' ' 73' ' ' ARG . 9.6 mp -118.96 25.82 9.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.71 142.61 50.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -125.71 29.67 5.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -100.3 -42.76 6.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.84 -108.83 2.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -83.4 0.08 47.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -97.29 -19.92 18.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.7 t -55.37 164.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.72 -8.2 31.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -116.52 166.47 12.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 64' ' ' LYS . 11.3 mt -72.5 134.51 45.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.492 ' N ' ' OE2' ' A' ' 87' ' ' GLU . 9.4 m170 -104.2 30.03 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.492 ' OE2' ' N ' ' A' ' 86' ' ' HIS . 1.7 pm0 -137.33 126.2 24.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.24 103.98 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.95 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 91' ' ' THR . 16.7 m-20 -125.09 101.85 7.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -41.67 -25.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 89' ' ' ASP . 35.2 p -87.78 -46.01 9.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.494 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 3.7 mmpt? -89.61 31.87 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.414 ' HG3' HD11 ' A' ' 113' ' ' LEU . 0.5 OUTLIER -120.12 154.97 56.07 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.529 0.681 . . . . 0.0 110.88 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.41 ' O ' ' SD ' ' A' ' 93' ' ' MET . 54.4 Cg_endo -69.73 113.54 3.4 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.435 ' CB ' ' HB2' ' A' ' 113' ' ' LEU . 27.0 mp0 -50.65 175.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.483 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 12.6 t -64.62 106.58 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -47.06 -37.24 9.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -69.51 -63.6 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -63.02 -14.98 54.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.2 t -91.25 -26.74 18.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.94 -63.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -80.44 -30.62 37.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.65 34.16 49.95 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -148.97 111.88 4.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.0 t -139.59 128.78 23.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.8 p -102.47 43.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.437 ' CB ' ' HB2' ' A' ' 110' ' ' CYS . 17.4 m-20 -110.37 113.81 26.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -69.15 -44.31 72.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -108.57 47.28 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.437 ' HB2' ' CB ' ' A' ' 107' ' ' ASN . 4.1 t -72.95 117.15 57.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 4.67 2.06 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.653 2.235 . . . . 0.0 112.317 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.483 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 36.4 m-85 -105.25 160.04 15.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.435 ' HB2' ' CB ' ' A' ' 95' ' ' GLU . 5.7 mp -78.68 137.68 37.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 10.7 m170 -112.78 97.56 6.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 74.6 mt -106.59 132.75 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 179.851 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.474 ' HG3' HG22 ' A' ' 65' ' ' THR . 8.4 pt-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.896 0.379 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 65' ' ' THR . 36.1 mtpt -67.75 -2.79 7.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.474 HG22 ' HG3' ' A' ' 63' ' ' GLU . 7.3 t -33.16 -42.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.425 ' N ' HG23 ' A' ' 65' ' ' THR . 19.1 t -86.93 141.88 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.0 t -84.56 126.31 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.7 t -43.15 138.55 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.763 ' HA ' HD12 ' A' ' 72' ' ' LEU . 9.0 ptpp? -88.26 -23.79 23.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -77.61 -55.13 5.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.6 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 7.6 t90 -49.86 -35.87 24.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' A' ' 69' ' ' LYS . 28.6 mt -47.29 -47.14 25.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -101.08 16.99 23.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 60.97 52.11 54.39 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.4 mt -127.08 25.91 6.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 6.3 t -117.09 143.59 45.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.35 34.24 5.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.49 ' O ' ' NE2' ' A' ' 81' ' ' GLN . 37.6 mttp -113.54 -48.01 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.65 -111.09 3.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.429 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -76.42 -11.37 59.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.757 0.313 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 78' ' ' LYS . 3.4 mp0 -87.87 -23.97 23.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.7 t -48.73 155.67 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.471 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 0.8 OUTLIER -93.68 -5.79 47.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 97.2 m-85 -116.91 162.44 17.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.43 HD11 ' HD3' ' A' ' 92' ' ' LYS . 15.7 mt -68.73 138.26 54.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.6 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 8.2 m170 -106.0 16.21 25.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.428 ' OE1' ' N ' ' A' ' 86' ' ' HIS . 1.6 pm0 -120.95 134.37 55.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -69.66 104.76 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 93' ' ' MET . 7.9 m-20 -120.54 114.7 22.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.838 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.682 ' O ' HD21 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -55.02 -11.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 31.7 p -103.94 -53.79 2.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.105 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.43 ' HD3' HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -63.97 -35.14 79.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.419 ' HG3' HD11 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -59.97 149.39 73.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 123.37 10.02 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.716 2.277 . . . . 0.0 112.288 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.53 ' HA ' HD13 ' A' ' 113' ' ' LEU . 5.7 mp0 -55.01 166.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.5 t -55.08 106.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -48.78 -33.96 11.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -70.88 -59.43 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.86 -14.93 63.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.9 t -89.65 -27.41 20.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -103.05 -64.16 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -81.13 -31.23 34.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.78 36.64 41.79 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -150.03 112.26 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.39 117.99 12.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -90.52 43.61 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -116.77 126.2 52.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -85.19 -43.47 13.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -100.43 41.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 5.6 t -72.05 116.44 48.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.675 0.75 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 5.05 1.86 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.311 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -102.29 175.95 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.682 HD21 ' O ' ' A' ' 90' ' ' MET . 5.4 mp -93.09 135.39 34.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 11.8 m170 -112.88 104.15 12.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 65.5 mt -120.2 128.03 75.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.817 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.0 p -95.48 124.16 39.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.906 0.384 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 t -118.08 26.67 9.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.36 -152.64 2.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.2 p -170.29 143.01 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -42.16 -42.65 3.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.27 84.03 0.33 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -63.65 179.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.964 0.411 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.589 ' O ' HD12 ' A' ' 85' ' ' LEU . 37.4 mtpt -76.91 7.85 4.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.5 t -36.65 -36.83 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.0 t -93.13 141.77 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 85' ' ' LEU . 77.9 t -84.65 128.34 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 t -45.9 137.28 5.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.471 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -89.24 -18.25 27.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -81.08 -48.61 11.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.529 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 22.6 t90 -56.94 -38.08 72.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 69' ' ' LYS . 60.3 mt -48.65 -51.15 29.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.926 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -90.41 16.57 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 60.56 48.28 86.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.8 mt -123.66 27.77 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.2 t -130.76 137.55 49.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.63 29.42 7.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.433 ' O ' ' NE2' ' A' ' 81' ' ' GLN . 29.0 mtpp -100.45 -45.11 5.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 70.37 -111.39 3.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.523 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -81.14 -5.08 57.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.765 0.317 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.506 ' N ' ' CD ' ' A' ' 81' ' ' GLN . 1.9 mp0 -91.56 -23.47 19.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 12.3 t -48.95 166.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.35 2.85 45.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -129.86 168.05 17.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 64' ' ' LYS . 17.8 mt -74.38 138.26 43.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.529 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 12.1 m170 -106.9 24.8 12.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -122.98 134.58 54.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -74.82 103.86 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -125.31 130.97 53.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.498 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 3.1 mmt -69.38 -10.8 59.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 50.6 p -104.15 -50.01 3.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.477 ' HD3' ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -65.24 -41.75 94.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.498 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 13.8 ptm -62.55 150.43 86.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.541 0.686 . . . . 0.0 110.886 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 173.32 11.18 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.515 ' N ' ' CD ' ' A' ' 95' ' ' GLU . 1.6 mp0 -89.3 176.66 6.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 47.1 t -69.64 108.23 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -47.04 -33.84 5.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -71.04 -60.02 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -65.73 -15.61 62.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.928 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.2 t -91.06 -27.28 18.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.578 ' HD2' ' CD1' ' A' ' 102' ' ' PHE . 4.1 tmtt? -103.4 -63.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.944 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.578 ' CD1' ' HD2' ' A' ' 101' ' ' LYS . 2.7 m-85 -79.74 -30.86 40.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.18 30.41 58.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -148.71 113.19 5.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.956 0.408 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 5.6 t -139.6 115.2 10.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.7 t -89.74 45.23 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -110.15 125.05 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -86.02 -26.51 25.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -123.35 44.15 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.5 t -72.02 120.29 79.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.65 2.67 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.647 2.232 . . . . 0.0 112.321 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -105.91 166.38 10.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.3 mp -82.88 136.55 34.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.577 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 8.7 m170 -113.13 99.53 7.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 72.3 mt -109.67 132.77 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.434 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 4.7 t70 -71.42 141.03 85.19 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.595 0.712 . . . . 0.0 110.862 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.436 ' O ' HD11 ' A' ' 121' ' ' ILE . 54.1 Cg_endo -69.71 3.02 2.99 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.257 . . . . 0.0 112.389 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -100.94 -4.32 27.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t -113.68 17.14 18.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -123.44 31.69 5.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.436 HD11 ' O ' ' A' ' 117' ' ' PRO . 5.1 mp -113.09 135.66 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 123' ' ' ASP . 41.5 tptt -66.46 -66.99 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 122' ' ' LYS . 11.2 t70 -34.85 -60.59 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.7 m -42.38 157.67 0.22 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.576 0.703 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.564 ' HG2' ' CH2' ' A' ' 126' ' ' TRP . 54.0 Cg_endo -69.75 -0.33 6.75 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.564 ' CH2' ' HG2' ' A' ' 125' ' ' PRO . 2.2 m95 -94.7 75.68 3.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 128' ' ' GLY . 21.0 m -109.14 -174.48 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 127' ' ' SER . . . -34.31 -92.08 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 130' ' ' SER . 53.9 Cg_endo -69.76 -51.43 0.39 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 129' ' ' PRO . 85.9 p -35.61 -41.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 30.0 t -78.24 148.88 33.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.082 -0.844 . . . . 0.0 112.491 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.3 t -146.07 150.81 36.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.389 . . . . 0.0 110.814 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.6 m -85.4 -33.0 22.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -110.83 -154.07 13.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.515 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.6 p -87.2 156.92 19.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.906 0.384 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.6 m -84.52 79.84 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 153.15 79.76 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -106.51 -176.0 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.637 ' O ' HD12 ' A' ' 85' ' ' LEU . 36.7 mtpt -74.66 7.8 2.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' LYS . 2.8 t -36.16 -32.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' LYS . 20.8 t -96.54 141.22 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.3 t -83.38 126.74 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.5 t -42.65 139.87 1.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.759 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -89.3 -22.37 22.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.954 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.419 ' ND1' ' HG2' ' A' ' 69' ' ' LYS . 8.1 m80 -78.58 -53.88 6.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -51.51 -37.55 49.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 69' ' ' LYS . 31.8 mt -46.76 -51.64 15.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -95.88 16.62 17.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.44 51.9 48.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 70.8 mt -124.53 28.53 6.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -133.38 148.37 51.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.92 26.45 3.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -97.09 -35.42 10.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.33 -102.47 0.54 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.498 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -90.51 2.41 55.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.749 0.309 . . . . 0.0 110.825 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -97.71 -18.79 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.8 t -58.51 160.03 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.69 -2.08 56.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -123.32 167.8 13.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.637 HD12 ' O ' ' A' ' 64' ' ' LYS . 12.1 mt -72.27 143.05 48.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -112.37 26.74 10.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -134.26 126.89 30.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -61.92 103.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -126.4 106.42 9.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.828 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 64.0 mmm -51.78 -16.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 32.8 p -97.31 -29.79 13.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.489 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -105.31 25.31 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.4 ptm -118.38 152.32 50.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.553 0.692 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 134.93 29.09 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.405 ' CD ' ' H ' ' A' ' 95' ' ' GLU . 11.3 mp0 -61.83 173.35 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 15.4 t -61.39 111.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.455 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -47.54 -36.64 10.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -70.67 -66.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -59.92 -15.03 18.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.9 t -90.88 -26.89 19.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -103.46 -64.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -81.24 -28.68 34.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.403 ' C ' ' HG2' ' A' ' 104' ' ' GLU . . . 74.09 32.48 58.46 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.512 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.403 ' HG2' ' C ' ' A' ' 103' ' ' GLY . 21.5 mm-40 -146.67 111.95 5.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.379 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.3 t -139.66 122.96 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.4 p -98.06 41.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -105.14 127.08 52.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -82.61 -42.15 18.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -110.91 46.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.6 t -72.4 118.0 63.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.6 0.714 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 3.68 2.65 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -105.41 159.28 16.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.427 ' H ' HD12 ' A' ' 113' ' ' LEU . 5.5 mp -76.69 135.78 39.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.5 m170 -112.7 95.81 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 74.4 mt -108.09 137.66 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 2.9 t70 -66.26 140.63 96.9 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 53.0 Cg_endo -69.77 2.2 3.75 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.229 . . . . 0.0 112.305 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.552 ' HA ' HD12 ' A' ' 121' ' ' ILE . 25.2 mt-10 -101.78 -37.48 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 99.7 p -64.01 -28.39 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -88.08 51.16 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' A' ' 118' ' ' GLU . 73.9 mt -142.63 134.06 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -69.93 -55.18 10.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -66.32 73.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 2.6 m -166.22 159.61 12.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.585 0.707 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.569 ' HG2' ' CE3' ' A' ' 126' ' ' TRP . 53.1 Cg_endo -69.78 -2.27 9.91 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.718 2.279 . . . . 0.0 112.311 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.569 ' CE3' ' HG2' ' A' ' 125' ' ' PRO . 0.5 OUTLIER -133.52 97.13 3.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.1 m -141.69 159.38 42.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 80.33 -162.37 45.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -24.83 29.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.381 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 27.2 m -105.96 140.81 38.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 132' ' ' GLY . 91.5 p -154.13 158.75 40.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 131' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.3 p -89.78 -59.52 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.369 . . . . 0.0 110.836 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 t -61.27 -32.61 72.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.73 -166.44 26.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.0 p -111.3 -61.46 1.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.2 m -80.15 125.96 30.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 152.48 -108.67 0.38 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -69.04 179.83 1.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.557 ' O ' HD12 ' A' ' 85' ' ' LEU . 39.1 mtpt -69.94 0.24 6.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.9 t -33.49 -38.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 64' ' ' LYS . 21.3 t -89.08 143.95 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.4 t -82.98 134.63 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.2 t -53.59 139.76 30.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.601 ' HA ' HD12 ' A' ' 72' ' ' LEU . 15.6 ptpt -85.76 -26.88 25.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -73.69 -53.4 10.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -51.18 -38.6 53.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 69' ' ' LYS . 45.9 mt -48.77 -50.05 35.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -93.84 20.57 7.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 55.31 51.97 50.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.515 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.7 mt -126.38 24.55 6.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.347 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 t -127.48 141.4 51.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -126.87 32.06 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -100.07 -34.08 10.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.43 -116.18 8.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.63 9.9 12.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -103.05 -21.92 13.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 12.1 t -51.13 163.92 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.52 -0.26 57.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -127.05 169.17 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 64' ' ' LYS . 13.8 mt -74.62 135.77 42.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.463 ' N ' ' OE2' ' A' ' 87' ' ' GLU . 12.2 m170 -105.13 21.6 16.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.463 ' OE2' ' N ' ' A' ' 86' ' ' HIS . 1.7 pm0 -125.07 133.79 52.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -73.43 107.59 5.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -125.89 135.78 52.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.52 ' O ' HD21 ' A' ' 113' ' ' LEU . 0.1 OUTLIER -72.45 -11.78 60.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.0 p -104.46 -53.36 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.519 ' HD3' HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -59.16 -45.39 91.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 14.9 ptm -60.57 154.41 55.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.534 0.683 . . . . 0.0 110.926 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 169.62 18.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.712 2.275 . . . . 0.0 112.35 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.484 ' N ' ' CD ' ' A' ' 95' ' ' GLU . 2.2 mp0 -93.52 168.21 11.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 100' ' ' SER . 3.4 t -63.46 116.81 5.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -54.16 -37.13 64.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.951 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -65.99 -69.05 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -59.12 -14.71 11.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 32.1 t -90.83 -28.31 18.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -102.67 -64.99 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -80.48 -27.85 37.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.33 35.35 56.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.459 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -149.05 112.44 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.927 0.394 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.5 t -139.55 120.54 14.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 58.0 m -94.86 39.33 1.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -112.26 114.68 27.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -75.11 -39.9 60.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -102.48 43.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.7 t -74.89 116.63 55.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.651 0.739 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 4.33 2.26 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.642 2.228 . . . . 0.0 112.318 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -105.3 167.25 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.52 HD21 ' O ' ' A' ' 90' ' ' MET . 5.6 mp -84.61 137.26 33.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.573 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 9.5 m170 -112.44 97.83 6.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 75.8 mt -100.47 131.47 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.409 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 5.5 t70 -58.25 140.35 83.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 0.0 110.84 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.409 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 54.2 Cg_endo -69.79 1.78 4.14 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.234 . . . . 0.0 112.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -96.87 -21.86 17.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.1 p -80.77 -32.96 35.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -95.82 79.49 3.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 40.3 mm -119.48 145.63 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 123' ' ' ASP . 0.4 OUTLIER -84.23 -56.64 3.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.454 ' N ' ' HD2' ' A' ' 122' ' ' LYS . 8.4 t0 -33.89 -44.86 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.3 m -43.1 162.69 0.17 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 4.41 2.19 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.707 2.271 . . . . 0.0 112.374 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -87.31 119.57 27.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.1 m -164.37 179.52 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.409 ' HA3' ' HD2' ' A' ' 129' ' ' PRO . . . 104.49 -136.43 13.05 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.409 ' HD2' ' HA3' ' A' ' 128' ' ' GLY . 54.1 Cg_endo -69.7 -38.56 7.75 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.25 . . . . 0.0 112.373 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 78.4 p -144.32 125.15 14.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 t -133.06 -45.0 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.458 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 p -57.05 -43.94 82.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.4 t -92.04 19.79 6.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.41 -98.28 1.12 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.6 p -57.86 154.77 11.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 62' ' ' GLY . 49.7 m -83.35 38.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 61' ' ' SER . . . 34.56 -147.69 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.522 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -61.69 176.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.503 ' O ' HD12 ' A' ' 85' ' ' LEU . 19.8 mtpt -72.64 2.48 6.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -32.46 -37.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 64' ' ' LYS . 38.3 t -85.42 135.04 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.083 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.7 t -78.6 132.2 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.5 t -53.81 137.49 38.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.797 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -84.07 -19.71 33.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -79.26 -57.35 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.407 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 6.3 t90 -48.95 -38.29 22.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.797 HD12 ' HA ' ' A' ' 69' ' ' LYS . 35.8 mt -45.35 -63.73 0.88 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -83.41 7.89 15.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.74 50.96 27.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.3 mp -120.95 19.64 11.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.18 151.81 36.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -134.4 22.46 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -93.55 -43.4 8.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.07 -99.67 0.88 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -95.04 4.7 53.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.784 0.326 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -101.08 -18.43 16.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 9.2 t -54.16 163.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.8 -0.17 43.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -124.99 165.68 17.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 64' ' ' LYS . 13.8 mt -71.73 137.51 47.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.407 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 11.1 m170 -104.84 18.12 22.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -118.85 140.45 49.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -81.58 103.5 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -126.29 122.46 35.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.845 ' O ' HD21 ' A' ' 113' ' ' LEU . 91.8 mmm -64.76 -7.62 11.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.1 p -103.19 -51.89 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.461 ' HD3' HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -68.04 -38.0 81.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.3 ptm -62.98 150.25 88.59 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.19 57.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.368 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.429 ' HG2' ' CD1' ' A' ' 115' ' ' ILE . 6.2 mp0 -83.53 165.31 19.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 100' ' ' SER . 3.3 t -52.01 117.83 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.537 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -55.27 -30.35 59.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -74.47 -65.22 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -61.81 -14.94 37.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.941 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 96' ' ' CYS . 47.3 t -91.43 -29.04 17.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -100.81 -64.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -79.79 -32.62 40.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.52 30.76 43.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -145.54 111.98 5.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.2 t -139.66 116.61 11.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 t -92.9 44.18 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.4 ' CB ' ' HB2' ' A' ' 110' ' ' CYS . 86.9 m-20 -107.88 127.88 54.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -82.05 -45.9 14.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -109.82 47.83 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.4 ' HB2' ' CB ' ' A' ' 107' ' ' ASN . 5.7 t -70.49 118.85 68.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.644 0.735 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.56 2.71 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -107.43 155.64 19.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.845 HD21 ' O ' ' A' ' 90' ' ' MET . 5.1 mp -73.64 138.02 44.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.573 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.3 m170 -112.93 99.35 7.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.429 ' CD1' ' HG2' ' A' ' 95' ' ' GLU . 57.4 mt -109.45 139.26 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.422 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 1.8 t70 -65.17 141.02 98.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.586 0.708 . . . . 0.0 110.829 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 53.4 Cg_endo -69.82 1.44 4.47 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -101.46 -29.2 12.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.7 m -78.2 -15.52 58.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -102.65 54.02 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.8 mt -141.17 140.68 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.89 -12.05 9.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -103.21 44.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 14.3 p -103.43 151.09 38.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.562 0.696 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.403 ' HG2' ' CE3' ' A' ' 126' ' ' TRP . 53.6 Cg_endo -69.79 -27.01 26.84 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.69 2.26 . . . . 0.0 112.362 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.403 ' CE3' ' HG2' ' A' ' 125' ' ' PRO . 2.8 m95 -49.74 150.95 1.89 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 31.4 t -174.59 123.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.421 ' HA3' ' HD2' ' A' ' 129' ' ' PRO . . . 76.36 -137.42 21.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.421 ' HD2' ' HA3' ' A' ' 128' ' ' GLY . 53.5 Cg_endo -69.79 -26.33 27.56 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.661 2.241 . . . . 0.0 112.367 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.6 t -50.41 -50.2 52.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 96.0 p -44.94 -51.84 9.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.503 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.7 p -76.01 135.56 39.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.3 t -87.85 -32.67 18.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 162.95 174.36 32.77 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.462 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.2 m -51.72 94.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 110.864 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.1 m -124.27 82.65 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.02 71.6 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.471 ' HG2' HG22 ' A' ' 65' ' ' THR . 15.8 pm0 -59.6 176.32 0.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.961 0.41 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.531 ' O ' HD12 ' A' ' 85' ' ' LEU . 37.5 mtpt -72.13 -0.69 12.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.471 HG22 ' HG2' ' A' ' 63' ' ' GLU . 10.1 t -33.64 -36.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' LYS . 42.9 t -88.09 138.49 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.2 t -82.91 126.77 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 9.4 t -45.44 132.22 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.561 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -85.06 -12.2 53.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -87.33 -50.7 6.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.476 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 5.0 t90 -57.46 -35.85 70.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 69' ' ' LYS . 36.7 mt -47.0 -50.62 18.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.545 ' HB2' HD13 ' A' ' 75' ' ' LEU . 78.5 mtm-85 -94.04 10.18 34.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.579 ' C ' HD12 ' A' ' 75' ' ' LEU . . . 69.51 50.66 30.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.454 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.579 HD12 ' C ' ' A' ' 74' ' ' GLY . 10.4 mp -124.07 27.36 7.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.902 0.382 . . . . 0.0 110.944 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.9 t -126.86 150.15 49.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.92 21.73 4.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -94.1 -48.1 6.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.49 -97.8 0.89 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -93.9 -0.49 55.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -96.86 -23.97 16.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.6 t -49.74 166.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.406 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -100.76 -2.88 31.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.406 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 95.6 m-85 -121.05 164.0 17.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 64' ' ' LYS . 16.3 mt -72.01 142.06 49.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.476 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 11.6 m170 -109.43 20.1 18.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.428 ' CD ' ' HB2' ' A' ' 89' ' ' ASP . 0.3 OUTLIER -119.46 135.3 54.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -73.06 105.72 4.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.428 ' HB2' ' CD ' ' A' ' 87' ' ' GLU . 2.5 t0 -126.16 122.89 36.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.05 -12.58 19.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.9 p -104.13 -50.79 3.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -43.36 84.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 13.9 ptm -59.72 148.69 74.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.558 0.695 . . . . 0.0 110.896 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 174.19 9.89 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.617 ' HG2' HD12 ' A' ' 115' ' ' ILE . 34.0 mp0 -85.41 169.6 13.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.0 t -58.45 124.25 18.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -57.64 -32.88 67.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -71.86 -70.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -53.38 -17.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.964 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 86.6 p -91.25 -29.88 16.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -101.67 -63.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -78.67 -29.96 45.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.28 30.39 58.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -149.5 113.12 5.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.939 0.4 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 5.1 t -139.53 114.75 9.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.2 t -90.84 40.78 1.03 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -117.17 98.74 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -64.25 -37.11 86.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -101.91 42.64 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.7 t -74.56 124.47 89.78 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.644 0.735 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 2.95 3.05 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.678 2.252 . . . . 0.0 112.399 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -107.5 174.54 5.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.5 mp -91.68 136.06 33.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 12.8 m170 -112.44 105.13 13.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.617 HD12 ' HG2' ' A' ' 95' ' ' GLU . 62.7 mt -117.82 139.21 45.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.433 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 4.5 t70 -60.42 140.98 91.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 0.0 110.863 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 53.7 Cg_endo -69.78 3.42 2.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.354 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -98.37 -24.59 15.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.8 t -82.79 -33.97 27.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -85.84 68.87 10.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 77.6 mt -145.21 130.33 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -74.67 -40.82 61.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.31 52.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.8 m -157.39 160.61 30.28 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 110.825 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.473 ' HG2' ' CH2' ' A' ' 126' ' ' TRP . 54.1 Cg_endo -69.75 2.89 3.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.473 ' CH2' ' HG2' ' A' ' 125' ' ' PRO . 3.0 m95 -94.33 145.07 25.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.962 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.4 t -139.34 111.69 7.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 63.97 -147.33 50.73 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.54 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -41.47 4.24 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 88.3 p -81.2 93.22 6.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 90.3 p -79.05 105.28 10.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.446 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 85.6 p -84.32 110.75 18.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 0.0 110.851 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.0 p -115.66 26.7 9.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -109.42 -58.33 0.52 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.0 p 41.91 40.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.918 0.389 . . . . 0.0 110.879 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 m -133.27 109.24 9.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.891 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.53 119.83 6.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.516 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -69.09 -175.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.958 0.409 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 66' ' ' VAL . 39.1 mtpt -68.83 0.03 4.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 64' ' ' LYS . 3.5 t -32.61 -35.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 64' ' ' LYS . 35.5 t -87.77 141.29 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.0 t -84.65 127.58 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.0 t -51.11 119.1 3.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.519 ' HA ' HD12 ' A' ' 72' ' ' LEU . 3.4 ptpt -70.87 -20.19 62.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -78.08 -58.92 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.837 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.521 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 6.7 t90 -47.71 -36.67 11.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 69' ' ' LYS . 33.9 mt -46.66 -56.76 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.409 ' C ' HD12 ' A' ' 75' ' ' LEU . 16.7 mmm-85 -92.25 12.78 21.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.06 51.92 26.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.409 HD12 ' C ' ' A' ' 73' ' ' ARG . 6.8 mp -119.91 23.38 11.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.9 t -126.72 151.87 47.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.02 24.13 3.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -98.57 -55.04 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.56 -107.88 2.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -82.31 -6.67 59.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.728 0.299 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.461 ' N ' ' CD ' ' A' ' 81' ' ' GLN . 1.7 mp0 -92.45 -23.72 19.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 12.0 t -48.65 165.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.74 0.63 39.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -125.22 165.5 18.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 64' ' ' LYS . 16.9 mt -73.67 138.49 44.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.521 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 12.3 m170 -105.69 22.66 15.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -123.47 137.08 54.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -76.51 103.72 6.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -126.39 134.37 51.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.806 ' O ' HD21 ' A' ' 113' ' ' LEU . 74.7 mmm -75.58 -11.13 59.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.1 p -103.84 -26.12 12.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -93.19 -42.11 9.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 15.4 ptm -60.08 153.37 56.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.646 0.736 . . . . 0.0 110.868 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 159.55 52.97 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.473 ' HG2' HD12 ' A' ' 115' ' ' ILE . 33.8 mp0 -81.01 173.17 12.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.422 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 7.9 t -64.1 115.86 5.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -51.49 -41.95 61.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -61.88 -62.04 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -60.35 -22.04 62.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.9 t -91.93 -13.29 31.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.594 ' HG3' ' CD2' ' A' ' 102' ' ' PHE . 2.7 tppt? -104.79 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.594 ' CD2' ' HG3' ' A' ' 101' ' ' LYS . 9.4 m-85 -94.7 -26.59 16.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.0 30.3 43.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -141.24 112.06 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.935 0.397 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.6 t -139.47 124.22 18.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.0 m -100.56 43.33 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -118.68 111.71 18.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -40.22 64.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -100.42 41.12 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.4 t -72.22 121.03 83.61 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 3.34 2.83 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.713 2.276 . . . . 0.0 112.34 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.422 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 20.7 m-85 -109.59 157.4 19.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.806 HD21 ' O ' ' A' ' 90' ' ' MET . 5.1 mp -75.09 138.51 42.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.1 m170 -113.05 96.42 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.809 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.473 HD12 ' HG2' ' A' ' 95' ' ' GLU . 82.2 mt -101.36 129.19 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -62.2 139.69 96.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.41 4.49 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -102.27 -4.51 25.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.2 m -105.88 -26.06 11.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -89.36 51.84 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 9.8 mm -100.77 146.48 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 123' ' ' ASP . 0.0 OUTLIER -102.31 -29.23 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.827 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.434 ' N ' ' HG2' ' A' ' 122' ' ' LYS . 4.4 p-10 -97.29 44.67 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 31.6 p -115.53 143.73 31.1 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.506 ' HG2' ' CZ3' ' A' ' 126' ' ' TRP . 54.0 Cg_endo -69.73 -2.96 11.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.506 ' CZ3' ' HG2' ' A' ' 125' ' ' PRO . 2.8 m95 -84.34 169.13 14.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.3 t -156.25 111.66 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 55.61 -164.65 4.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 -17.2 38.16 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 2.258 . . . . 0.0 112.383 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 131' ' ' SER . 11.1 t -44.6 -56.99 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 130' ' ' SER . 33.4 t -34.88 -49.16 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.103 -0.831 . . . . 0.0 112.493 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.9 m -93.92 116.08 28.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.37 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.2 m -92.65 26.76 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.12 143.69 14.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.1 p -112.79 -50.65 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.862 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.0 m -48.79 122.26 5.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -113.3 88.77 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.532 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -53.66 -177.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.955 0.407 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.543 ' O ' HD12 ' A' ' 85' ' ' LEU . 39.5 mtpt -74.01 2.6 8.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.9 t -33.36 -36.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 64' ' ' LYS . 14.8 t -90.04 141.87 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 64.6 t -86.2 126.33 40.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.1 t -44.89 118.98 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.763 ' HA ' HD12 ' A' ' 72' ' ' LEU . 10.7 ptmt -69.27 -22.15 63.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.442 ' ND1' ' HG2' ' A' ' 69' ' ' LYS . 2.4 m80 -78.13 -66.33 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.601 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 3.4 t90 -40.41 -36.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' A' ' 69' ' ' LYS . 31.5 mt -43.44 -61.94 1.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.465 ' HB2' HD13 ' A' ' 75' ' ' LEU . 20.2 mtt85 -86.27 12.55 9.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.418 ' C ' HD12 ' A' ' 75' ' ' LEU . . . 70.09 51.8 21.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.465 HD13 ' HB2' ' A' ' 73' ' ' ARG . 7.2 mp -124.94 33.13 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.374 . . . . 0.0 110.946 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.5 t -131.37 146.32 52.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -127.77 26.68 5.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -106.14 -58.44 1.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 86' ' ' HIS . . . 74.09 -108.56 2.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.536 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.485 ' OD2' ' NE2' ' A' ' 81' ' ' GLN . 1.0 OUTLIER -70.0 -15.58 63.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 110.859 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.485 ' NE2' ' OD2' ' A' ' 80' ' ' ASP . 16.9 mp0 -89.81 -23.62 21.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 9.3 t -50.83 165.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.29 2.8 31.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -125.76 166.62 16.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 64' ' ' LYS . 17.8 mt -74.42 141.26 45.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.601 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 16.5 m170 -110.63 22.12 15.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -120.78 138.07 54.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -78.39 103.52 8.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -126.38 123.06 37.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.928 ' O ' HD21 ' A' ' 113' ' ' LEU . 1.5 mmt -65.13 -9.42 22.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.2 p -103.03 -50.59 3.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -41.4 83.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.459 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 16.2 ptm -61.23 148.5 84.98 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 110.883 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 159.95 51.48 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.778 ' CD ' HD12 ' A' ' 115' ' ' ILE . 19.3 mt-10 -80.92 173.08 12.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.0 t -65.55 106.63 1.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -42.11 -34.34 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -71.26 -63.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -61.68 -16.21 46.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 t -91.19 -25.4 19.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.17 -62.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -83.5 -31.92 26.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 77.78 31.54 48.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.523 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -147.29 112.1 5.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.47 128.18 23.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.9 t -103.7 42.47 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -112.28 98.34 7.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -59.04 -40.71 85.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -103.03 43.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.8 t -77.23 115.99 53.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.651 0.738 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 3.67 2.64 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.332 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -104.85 151.06 24.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.928 HD21 ' O ' ' A' ' 90' ' ' MET . 4.6 mp -69.58 138.56 53.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.9 m170 -113.31 103.67 11.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.778 HD12 ' CD ' ' A' ' 95' ' ' GLU . 73.9 mt -111.41 128.68 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -51.58 137.29 32.58 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.617 0.722 . . . . 0.0 110.833 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 2.01 3.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.261 . . . . 0.0 112.36 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -108.46 -13.59 14.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.9 t -91.8 14.08 16.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -131.15 -29.1 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 98.4 mt -40.6 146.09 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.164 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 123' ' ' ASP . 19.1 tptm -108.58 -64.4 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 122' ' ' LYS . 7.6 t70 -32.72 -43.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 123' ' ' ASP . 20.3 p -34.46 151.03 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.607 0.718 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -15.33 37.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.361 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -69.7 95.31 0.87 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.1 m -98.61 -66.66 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -59.19 -151.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -28.68 25.2 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 79.4 p -128.67 -51.81 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 25.5 p -174.52 134.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.52 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 81.2 p -93.85 43.51 1.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.4 t -111.46 25.23 11.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -114.67 -131.38 5.11 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.7 t -86.16 50.27 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.2 p -131.25 161.99 31.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 91.77 38.12 5.9 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.447 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -58.55 178.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' O ' HD12 ' A' ' 85' ' ' LEU . 34.8 mtpt -78.99 11.86 2.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -35.8 -37.02 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.1 t -92.0 144.98 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.8 t -87.55 129.69 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.8 t -48.06 140.07 7.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.552 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -88.82 -20.89 24.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -78.08 -57.93 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -48.73 -36.84 17.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 69' ' ' LYS . 32.9 mt -46.68 -45.41 19.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.532 ' HB2' HD13 ' A' ' 75' ' ' LEU . 18.1 mmt180 -102.93 11.54 37.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.48 41.45 76.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.532 HD13 ' HB2' ' A' ' 73' ' ' ARG . 9.1 mp -113.17 23.42 13.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.347 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.3 149.07 46.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -133.95 28.61 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -103.87 -35.93 7.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.66 -98.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -87.27 -0.39 56.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.25 -20.08 17.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.9 t -57.46 165.08 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.11 3.2 35.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -125.18 167.69 14.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.553 HD11 ' HD3' ' A' ' 92' ' ' LYS . 15.6 mt -73.23 141.23 47.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -110.59 26.62 10.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -131.68 127.89 37.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -62.79 103.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -124.88 117.82 24.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.589 ' O ' HD21 ' A' ' 113' ' ' LEU . 2.2 mmt -59.88 -26.26 65.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.3 p -87.77 -53.55 4.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.553 ' HD3' HD11 ' A' ' 85' ' ' LEU . 5.3 mmpt? -60.7 -46.23 91.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.507 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 9.3 ptm -59.82 147.36 79.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.58 0.705 . . . . 0.0 110.905 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.65 18.43 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.297 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.48 ' HG2' HD12 ' A' ' 115' ' ' ILE . 21.2 mp0 -88.48 177.0 6.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 23.8 t -63.12 110.8 1.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.577 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -46.82 -34.27 5.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -72.67 -66.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -57.77 -15.31 7.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.0 t -92.07 -28.95 16.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -102.33 -62.94 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -81.49 -27.63 34.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 72.08 34.0 61.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -149.99 112.65 4.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.946 0.403 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.526 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.4 127.09 21.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.0 t -102.23 36.88 2.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -102.63 117.64 35.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -76.08 -37.58 58.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -111.34 45.76 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.3 t -72.33 116.95 54.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.682 0.753 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 3.1 2.96 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -104.36 168.94 8.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.589 HD21 ' O ' ' A' ' 90' ' ' MET . 5.0 mp -85.57 136.74 33.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.526 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.6 m170 -112.5 98.2 7.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.48 HD12 ' HG2' ' A' ' 95' ' ' GLU . 64.8 mt -110.24 139.23 34.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -65.03 138.96 97.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.619 0.723 . . . . 0.0 110.841 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -0.71 7.29 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -98.33 -14.77 20.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.2 t -91.67 -21.83 20.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -97.35 49.12 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 17.7 mm -109.59 144.13 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.91 -23.89 8.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.82 -61.35 2.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.7 m -42.24 161.52 0.16 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.594 0.712 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.586 ' HG2' ' CE3' ' A' ' 126' ' ' TRP . 54.4 Cg_endo -69.79 4.07 2.42 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.586 ' CE3' ' HG2' ' A' ' 125' ' ' PRO . 0.4 OUTLIER -134.77 135.37 41.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.7 t -157.19 165.48 35.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 87.03 -166.62 37.18 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -13.07 34.0 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.29 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 44.9 t -122.13 116.98 25.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 96.2 p -128.21 129.12 45.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.489 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.6 m 46.02 43.1 10.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.7 t -89.49 26.87 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.49 162.38 9.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.52 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.4 t -45.43 168.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.7 t -110.34 -50.69 2.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -90.01 52.45 3.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -59.66 -178.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.926 0.393 . . . . 0.0 110.919 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.628 ' O ' HD12 ' A' ' 85' ' ' LEU . 14.5 mtpt -73.58 3.39 6.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.7 t -34.43 -38.09 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.3 t -89.57 140.1 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 92' ' ' LYS . 43.5 t -83.08 125.96 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.6 t -42.85 141.14 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -87.86 -29.93 20.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -71.09 -53.08 15.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.593 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 31.8 t90 -53.43 -41.4 66.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.9 mt -49.61 -46.72 49.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -96.38 18.94 12.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 58.11 51.95 55.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.8 mt -128.91 28.21 5.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.873 0.368 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.1 t -130.44 150.54 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -133.12 25.13 4.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.496 ' O ' ' NE2' ' A' ' 81' ' ' GLN . 49.2 mttm -97.09 -37.05 10.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.84 -108.88 2.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.16 -1.02 54.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.757 0.313 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 78' ' ' LYS . 2.0 mp0 -93.73 -23.75 18.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 7.9 t -52.18 156.76 1.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.69 -3.13 58.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -120.94 167.22 12.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 64' ' ' LYS . 13.4 mt -75.14 137.36 41.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.593 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 14.3 m170 -106.26 27.26 8.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -130.22 127.1 38.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -67.4 102.93 1.18 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.407 ' C ' ' N ' ' A' ' 91' ' ' THR . 7.8 t0 -126.7 108.57 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.838 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.478 ' O ' HD21 ' A' ' 113' ' ' LEU . 82.1 mmm -43.85 -22.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.407 ' N ' ' C ' ' A' ' 89' ' ' ASP . 32.1 p -93.38 -49.88 5.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.519 ' HB3' HD13 ' A' ' 85' ' ' LEU . 7.9 mmpt? -82.54 25.07 0.66 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.932 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.4 ptm -120.38 153.27 55.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.565 0.697 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 134.4 27.92 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.293 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.1 169.57 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.469 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 10.7 t -57.86 112.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -49.91 -39.99 41.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -63.92 -60.3 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -60.76 -22.27 63.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.2 p -91.62 -15.46 28.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.6 ' HG3' ' CD2' ' A' ' 102' ' ' PHE . 6.1 tppt? -102.55 -65.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.6 ' CD2' ' HG3' ' A' ' 101' ' ' LYS . 9.3 m-85 -94.38 -27.56 15.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.97 31.18 40.13 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.455 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -143.41 111.98 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.924 0.392 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.62 124.22 18.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.0 p -100.16 44.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -111.27 121.16 44.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.99 -41.61 35.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -109.44 46.32 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.8 t -71.66 120.21 78.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.727 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 4.11 2.39 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.299 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.469 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 26.4 m-85 -108.44 156.3 19.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.489 ' H ' HD12 ' A' ' 113' ' ' LEU . 5.3 mp -74.48 135.71 42.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.8 m170 -113.07 94.73 5.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 87.6 mt -106.69 136.77 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.92 139.84 52.05 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.554 0.692 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 0.54 5.51 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.707 2.272 . . . . 0.0 112.345 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.447 ' HA ' ' CD1' ' A' ' 121' ' ' ILE . 13.0 mt-10 -98.68 -22.04 16.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 88.2 p -94.76 0.77 55.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -92.94 -31.72 14.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 118' ' ' GLU . 2.9 mp -39.76 150.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -97.98 -60.42 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.88 82.84 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 11.8 p -108.61 146.55 33.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.7 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.403 ' HG2' ' CZ3' ' A' ' 126' ' ' TRP . 54.0 Cg_endo -69.75 2.31 3.64 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.403 ' CZ3' ' HG2' ' A' ' 125' ' ' PRO . 3.7 m95 -87.14 114.97 24.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.9 m -106.52 -57.14 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 160.94 -84.39 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.516 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 2.43 3.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 41.1 t -114.52 -37.24 4.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 71.1 m -39.77 130.14 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.474 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.5 m -109.2 41.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.823 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.9 p -107.26 -32.23 7.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.97 67.43 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.443 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.0 t -103.84 159.57 15.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.4 m -44.69 108.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -111.9 -174.06 19.57 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.529 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -76.89 178.46 6.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' O ' HD12 ' A' ' 85' ' ' LEU . 42.2 mtpt -81.61 16.5 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 92' ' ' LYS . 0.5 OUTLIER -40.98 -27.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 64' ' ' LYS . 55.8 t -103.67 143.53 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.3 t -84.69 126.37 40.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.8 t -43.51 139.14 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.588 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -89.14 -19.48 25.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -81.74 -56.43 4.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.442 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 2.9 t90 -49.17 -35.11 15.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 69' ' ' LYS . 32.3 mt -45.82 -55.08 7.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -93.99 20.01 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 62.81 51.98 51.74 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.5 mt -125.74 32.4 5.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.9 t -133.39 147.27 51.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -131.82 26.98 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.408 ' HB3' ' N ' ' A' ' 82' ' ' CYS . 39.9 mttp -100.61 -40.13 7.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.43 -90.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.471 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -92.36 -3.45 55.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -98.49 -14.56 19.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.408 ' N ' ' HB3' ' A' ' 78' ' ' LYS . 8.0 t -63.42 165.59 7.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.494 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 1.1 pt-20 -103.15 -6.28 22.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.494 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 89.5 m-85 -115.72 165.52 12.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.518 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 20.2 mt -72.99 140.0 47.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.442 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 10.5 m170 -107.82 18.73 20.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -121.14 129.76 53.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -65.79 103.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.417 ' O ' ' HB3' ' A' ' 93' ' ' MET . 0.9 OUTLIER -120.41 144.27 48.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.466 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 1.0 OUTLIER -83.96 -17.24 41.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 56.6 p -105.54 -40.04 5.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.187 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.518 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 6.9 mmpt? -81.44 18.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.466 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 21.8 ptm -121.74 150.54 55.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 138.16 37.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.751 2.3 . . . . 0.0 112.328 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.495 ' CD ' HD12 ' A' ' 115' ' ' ILE . 17.9 mt-10 -61.64 162.61 8.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.8 t -55.54 114.64 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -51.11 -37.47 46.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -66.13 -64.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -61.78 -16.08 46.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.4 t -89.74 -26.46 20.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -104.94 -64.85 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -78.83 -30.94 45.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.9 30.13 58.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.522 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -145.25 111.95 5.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.5 t -139.74 118.73 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.7 p -95.58 42.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.816 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -113.4 98.49 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -28.4 69.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -114.81 46.29 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.1 t -79.67 119.98 78.6 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.643 0.735 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 4.09 2.4 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -106.2 160.74 15.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.494 ' H ' HD12 ' A' ' 113' ' ' LEU . 5.0 mp -77.21 136.35 38.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.573 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 8.1 m170 -112.93 99.31 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.495 HD12 ' CD ' ' A' ' 95' ' ' GLU . 84.3 mt -110.77 138.52 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -57.85 139.21 82.6 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.552 0.691 . . . . 0.0 110.875 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 0.71 5.24 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.659 2.24 . . . . 0.0 112.333 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -95.45 -20.4 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.8 t -76.35 -27.53 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -98.76 79.28 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 15.2 mm -136.89 150.26 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -103.79 -50.52 3.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.494 ' CG ' ' N ' ' A' ' 124' ' ' CYS . 0.2 OUTLIER -38.97 -51.65 1.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.494 ' N ' ' CG ' ' A' ' 123' ' ' ASP . 4.1 m -41.43 158.93 0.18 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.589 0.709 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.548 ' HG2' ' CZ3' ' A' ' 126' ' ' TRP . 53.2 Cg_endo -69.82 1.78 4.16 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.285 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.548 ' CZ3' ' HG2' ' A' ' 125' ' ' PRO . 2.6 m95 -92.69 128.3 38.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 79.0 p -96.62 91.19 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.67 -164.06 12.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.439 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -34.94 13.74 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.273 . . . . 0.0 112.343 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.3 t -65.04 -43.26 92.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 55.0 p 47.23 41.32 11.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.537 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 t -111.05 42.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 0.0 110.853 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.6 m -111.13 -32.88 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.5 45.36 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.9 m -114.95 112.62 22.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 0.0 110.86 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.3 t -103.82 -41.96 5.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.77 117.26 7.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -93.1 -176.52 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 0.0 110.922 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.599 ' O ' HD12 ' A' ' 85' ' ' LEU . 15.3 mtpt -73.83 3.44 6.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.462 ' C ' ' O ' ' A' ' 64' ' ' LYS . 5.0 t -33.08 -34.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 64' ' ' LYS . 38.9 t -91.66 142.79 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.5 t -83.93 129.65 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.4 t -46.19 142.33 2.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.585 ' HA ' HD12 ' A' ' 72' ' ' LEU . 9.0 ptpp? -89.03 -23.93 22.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -77.07 -56.56 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 14.1 t90 -50.79 -38.14 46.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 69' ' ' LYS . 31.1 mt -48.72 -47.74 41.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.4 mtt-85 -97.48 20.26 12.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 59.91 51.33 59.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.2 mt -128.79 31.53 4.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.17 144.48 48.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.438 ' HD3' ' N ' ' A' ' 77' ' ' LYS . 3.2 mppt? -128.4 19.11 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.449 ' HB3' ' N ' ' A' ' 82' ' ' CYS . 68.4 mttm -88.71 -46.08 9.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.32 -79.26 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.522 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -104.15 -2.32 25.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -99.86 -13.49 19.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.449 ' N ' ' HB3' ' A' ' 78' ' ' LYS . 7.3 t -62.64 166.03 5.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.22 -1.96 26.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -121.54 164.69 16.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 64' ' ' LYS . 14.3 mt -71.51 142.29 50.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -109.61 23.59 14.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -121.99 132.81 54.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -69.55 103.9 2.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.933 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.469 ' O ' ' CG ' ' A' ' 93' ' ' MET . 1.8 t70 -123.72 145.05 49.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.01 -18.38 55.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.1 p -105.21 -41.04 5.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.488 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 2.8 mmtp -79.13 15.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 89' ' ' ASP . 12.5 ptm -120.18 152.28 54.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.572 0.701 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 144.4 53.9 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 95' ' ' GLU . 15.8 mp0 -67.81 161.93 25.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.403 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 8.1 t -52.05 116.82 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -54.64 -31.25 57.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -75.08 -57.92 3.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -65.73 -16.79 64.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.6 p -92.08 -23.21 19.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -103.44 -64.8 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -84.21 -28.76 27.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.46 33.56 52.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -147.22 112.65 5.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.909 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.5 t -139.45 127.68 22.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 81.0 p -104.71 40.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -102.85 125.16 49.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -79.19 -40.43 30.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -113.54 46.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 2.0 t -71.13 117.48 56.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.621 0.724 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 3.51 2.72 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.403 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 15.4 m-85 -105.57 159.79 15.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.449 ' H ' HD12 ' A' ' 113' ' ' LEU . 5.4 mp -76.99 136.7 38.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.3 m170 -113.06 95.24 5.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 73.8 mt -110.06 138.06 39.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 2.5 t70 -61.5 140.5 94.88 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.546 0.688 . . . . 0.0 110.838 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 53.9 Cg_endo -69.67 2.78 3.18 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.683 2.256 . . . . 0.0 112.339 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -104.43 -17.35 14.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.0 m -88.05 -25.49 23.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -90.26 45.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 24.0 mm -106.76 138.45 32.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 123' ' ' ASP . 9.8 tptp -83.69 -59.7 2.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 122' ' ' LYS . 1.0 OUTLIER -35.25 -53.13 0.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.845 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 16.9 m -41.03 152.17 0.25 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.588 0.708 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.447 ' HG2' ' CZ3' ' A' ' 126' ' ' TRP . 53.7 Cg_endo -69.76 1.17 4.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.298 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.447 ' CZ3' ' HG2' ' A' ' 125' ' ' PRO . 3.3 m95 -88.82 84.27 6.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.9 t -120.43 84.94 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 117.32 -167.59 12.71 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.441 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -45.15 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.354 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.5 t -104.38 42.81 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.812 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 75.7 m 45.08 41.24 5.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.451 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.2 m -88.04 82.18 7.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.7 m -103.47 -32.32 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.65 114.42 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.8 p -84.03 167.6 16.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 m 44.7 45.95 8.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 63' ' ' GLU . . . -73.37 -37.66 53.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.506 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 62' ' ' GLY . 7.7 pt-20 -50.32 -177.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.914 0.388 . . . . 0.0 110.854 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.635 ' O ' HD12 ' A' ' 85' ' ' LEU . 20.3 mtpt -71.79 2.41 5.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.8 t -34.13 -33.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 64' ' ' LYS . 24.3 t -93.39 146.39 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.7 t -89.26 126.25 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.3 t -45.44 140.82 2.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -88.97 -24.42 22.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -76.23 -51.82 11.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.493 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 25.9 t90 -52.86 -39.89 62.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.1 mt -46.41 -51.65 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.553 ' HB2' HD13 ' A' ' 75' ' ' LEU . 26.4 mmt180 -91.8 7.56 41.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.589 ' C ' HD12 ' A' ' 75' ' ' LEU . . . 69.94 50.02 31.62 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.589 HD12 ' C ' ' A' ' 74' ' ' GLY . 9.0 mp -123.96 26.84 7.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.349 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.86 135.92 49.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -119.33 26.23 9.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 80' ' ' ASP . 55.1 mttm -97.96 -41.88 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.26 -79.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 78' ' ' LYS . 78.3 m-20 -98.94 -7.26 27.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.458 ' HA ' ' NE2' ' A' ' 81' ' ' GLN . 2.9 mm-40 -93.78 -23.58 18.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.463 ' N ' ' HB3' ' A' ' 78' ' ' LYS . 8.8 t -53.89 166.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.4 -1.33 21.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -119.9 167.82 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 64' ' ' LYS . 12.9 mt -72.82 138.51 46.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.493 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 7.6 m170 -107.1 20.18 19.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -119.92 137.86 53.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -76.73 103.95 6.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -123.21 145.03 48.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.868 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.483 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 0.9 OUTLIER -80.94 -16.54 53.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.0 p -105.38 -39.78 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.514 ' HB3' HD13 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -81.8 20.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.483 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 8.7 ptm -121.25 150.62 54.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 110.888 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.26 14.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.729 2.286 . . . . 0.0 112.331 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.411 ' CD ' ' H ' ' A' ' 95' ' ' GLU . 8.0 mp0 -51.38 173.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 16.2 t -67.47 110.29 3.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -46.7 -39.09 10.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -69.07 -70.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -55.99 -15.05 2.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.4 t -91.18 -30.38 16.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -101.67 -63.29 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -79.85 -30.46 40.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.51 34.04 51.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -150.24 113.04 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.902 0.382 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.5 t -139.43 121.67 15.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 75.5 p -95.94 38.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.833 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -111.43 111.18 22.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -74.03 -36.93 64.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -103.19 42.34 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 3.4 t -77.12 117.25 63.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.739 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 3.4 2.78 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.703 2.268 . . . . 0.0 112.377 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -101.49 171.09 7.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.5 mp -86.96 133.13 33.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 8.7 m170 -112.29 95.53 5.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 60.0 mt -109.5 143.17 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.411 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 5.0 t70 -60.02 139.71 90.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.604 0.716 . . . . 0.0 110.845 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.411 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 53.9 Cg_endo -69.74 2.41 3.55 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.439 ' HA ' ' CD1' ' A' ' 121' ' ' ILE . 13.6 mt-10 -105.54 -11.71 16.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.3 p -103.07 25.4 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -124.03 -19.94 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.589 ' H ' HD12 ' A' ' 121' ' ' ILE . 3.8 mp -50.42 149.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -82.37 -55.02 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -38.16 -72.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.815 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.51 ' HB3' ' CD1' ' A' ' 126' ' ' TRP . 18.8 m -42.98 153.31 0.34 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.638 0.733 . . . . 0.0 110.853 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 0.72 5.26 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.51 ' CD1' ' HB3' ' A' ' 124' ' ' CYS . 3.4 m95 -84.77 113.5 21.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.976 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.7 m -151.22 157.6 42.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.817 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 54.35 179.23 0.16 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -1.38 8.36 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.1 t -70.84 -53.55 14.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 79.7 p -39.37 -45.45 1.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.468 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.0 t -75.01 -54.1 7.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 110.862 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.2 p -95.89 26.78 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.92 124.17 9.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.3 t -69.74 78.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.5 m -159.78 122.23 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -142.28 105.39 0.41 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.473 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -56.61 -178.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.888 0.375 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.551 ' O ' HD12 ' A' ' 85' ' ' LEU . 29.7 mtpt -83.02 16.86 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 t -38.45 -36.87 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.1 t -92.3 144.96 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.6 t -88.55 124.36 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.1 t -41.62 137.05 1.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.659 ' HA ' HD12 ' A' ' 72' ' ' LEU . 12.2 ptpt -88.11 -22.02 24.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -77.27 -52.4 9.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.564 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 11.4 t90 -55.21 -37.6 67.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 69' ' ' LYS . 46.1 mt -50.88 -44.58 59.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.6 mmt-85 -98.41 17.15 19.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 59.35 50.84 63.44 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.1 mt -128.07 24.85 5.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.3 t -125.34 145.06 50.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.403 ' HD3' ' O ' ' A' ' 77' ' ' LYS . 1.6 tmtp? -130.24 30.12 4.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -102.7 -40.48 6.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.13 -99.2 0.13 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -85.46 -3.89 58.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.727 0.299 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -96.57 -17.76 20.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.1 t -60.83 166.0 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.28 -2.87 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -119.89 166.26 13.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 64' ' ' LYS . 15.2 mt -71.82 142.43 49.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.564 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 8.6 m170 -111.52 25.08 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -130.41 128.18 40.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.95 103.9 0.4 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.93 110.36 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.5 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 0.0 OUTLIER -53.84 -13.36 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.2 p -102.53 -47.15 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.496 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 4.1 mmpt? -83.09 25.66 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.5 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 8.8 ptm -120.9 153.36 57.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.58 0.705 . . . . 0.0 110.886 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 135.06 29.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.726 2.284 . . . . 0.0 112.328 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -64.14 167.1 6.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.7 t -60.85 112.73 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -51.12 -33.02 24.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -70.61 -66.07 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -60.74 -15.82 33.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.5 t -92.0 -25.44 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -103.53 -64.07 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -82.85 -27.89 30.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 74.12 33.18 57.47 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -148.6 113.53 5.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.932 0.396 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.8 t -139.52 131.4 27.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.8 m -107.44 44.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -114.0 97.16 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -57.85 -29.26 64.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -119.49 48.14 1.57 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.7 t -74.07 121.66 85.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.58 0.705 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 3.69 2.61 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.698 2.265 . . . . 0.0 112.376 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -106.8 175.18 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.9 mp -90.68 137.03 32.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 9.4 m170 -113.15 95.35 5.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 77.1 mt -108.35 141.65 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 5.9 t70 -72.4 140.39 82.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 54.1 Cg_endo -69.78 3.15 2.95 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.724 2.283 . . . . 0.0 112.37 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -100.63 -19.22 16.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -89.07 -28.46 20.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -89.47 48.34 1.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 8.7 mm -109.32 141.41 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -103.32 -31.48 10.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -83.21 45.38 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 28.6 p -127.6 152.98 77.54 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.551 0.691 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.489 ' HG2' ' CZ3' ' A' ' 126' ' ' TRP . 53.5 Cg_endo -69.78 0.41 5.71 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.489 ' CZ3' ' HG2' ' A' ' 125' ' ' PRO . 2.7 m95 -92.83 99.9 12.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.8 t -70.69 89.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 72.45 -150.47 45.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.456 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -13.56 34.82 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.3 m -113.68 130.06 56.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 80.7 p -105.84 106.42 16.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.51 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 m -128.16 173.28 10.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 110.872 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.3 m -90.75 -32.67 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.24 85.77 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.444 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.8 t -40.27 -43.69 1.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.2 p -42.92 119.87 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -111.51 108.76 2.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -78.69 178.26 8.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 66' ' ' VAL . 26.3 mtpt -69.7 0.55 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.473 HG23 HG23 ' A' ' 66' ' ' VAL . 9.3 t -32.65 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 64' ' ' LYS . 49.4 t -91.61 142.0 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.6 t -85.86 121.38 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.8 t -40.93 136.23 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.666 ' HA ' HD12 ' A' ' 72' ' ' LEU . 3.3 ptpp? -82.37 -29.21 31.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -71.47 -60.62 2.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.818 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.495 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 6.3 t90 -42.67 -40.43 2.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 69' ' ' LYS . 28.5 mt -41.78 -65.67 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.456 ' HB2' HD23 ' A' ' 75' ' ' LEU . 9.4 mpt_? -86.62 11.96 11.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.675 ' C ' HD22 ' A' ' 75' ' ' LEU . . . 72.31 52.12 11.54 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.675 HD22 ' C ' ' A' ' 74' ' ' GLY . 2.3 mm? -119.57 26.44 9.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.1 t -131.63 141.91 49.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -122.31 29.03 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -105.95 -63.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.495 ' HA2' ' CE1' ' A' ' 86' ' ' HIS . . . 81.94 -103.24 2.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.525 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.401 ' HB3' ' NE2' ' A' ' 81' ' ' GLN . 16.8 t70 -77.58 -9.84 59.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.401 ' NE2' ' HB3' ' A' ' 80' ' ' ASP . 6.6 mp0 -94.96 -24.04 17.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 17.4 t -50.41 165.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.445 ' CD ' ' CE1' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -99.23 -11.22 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.445 ' CE1' ' CD ' ' A' ' 83' ' ' GLU . 97.1 m-85 -113.7 165.31 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 64' ' ' LYS . 19.2 mt -72.87 143.83 47.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.495 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 13.9 m170 -110.93 25.39 11.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -126.47 135.8 51.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -78.03 103.32 7.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -126.5 124.42 40.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.487 ' O ' HD21 ' A' ' 113' ' ' LEU . 80.6 mmm -64.34 -13.43 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 82.4 p -97.95 -53.54 3.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -64.12 -40.48 96.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 17.8 ptm -60.5 150.98 72.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.71 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.38 60.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.656 2.238 . . . . 0.0 112.384 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -78.47 169.03 18.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.478 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 12.8 t -57.69 115.44 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -51.7 -38.29 54.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -70.7 -64.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.408 ' O ' ' HA2' ' A' ' 103' ' ' GLY . 3.2 t80 -58.82 -14.39 8.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.965 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.5 p -92.18 -34.37 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -93.55 -65.31 1.0 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -80.85 -34.57 33.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 99' ' ' TYR . . . 80.42 35.57 25.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.44 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -150.35 111.93 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.3 t -139.5 131.72 28.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.7 t -107.07 40.18 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.419 ' CB ' ' HB2' ' A' ' 110' ' ' CYS . 8.8 m-20 -103.63 114.28 28.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -69.19 -41.98 76.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -110.83 46.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.419 ' HB2' ' CB ' ' A' ' 107' ' ' ASN . 2.0 t -73.14 116.55 51.84 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 7.54 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.716 2.278 . . . . 0.0 112.324 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.478 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 38.8 m-85 -109.84 149.84 29.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.524 ' H ' HD12 ' A' ' 113' ' ' LEU . 5.7 mp -67.03 134.94 52.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.555 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.3 m170 -113.38 97.0 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 76.6 mt -109.06 140.78 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.428 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 4.8 t70 -63.61 141.19 97.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.634 0.73 . . . . 0.0 110.819 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 54.3 Cg_endo -69.76 1.82 4.09 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -97.01 -33.17 11.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.2 m -87.28 13.91 8.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -127.26 36.05 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 35.7 mm -90.77 138.85 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -89.91 -46.79 8.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -100.63 56.7 0.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 21.0 p -87.11 142.09 33.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.555 ' HG2' ' CE3' ' A' ' 126' ' ' TRP . 53.6 Cg_endo -69.73 3.5 2.72 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.234 . . . . 0.0 112.328 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.555 ' CE3' ' HG2' ' A' ' 125' ' ' PRO . 0.3 OUTLIER -137.07 115.93 12.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.955 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 86.5 p -105.43 119.75 39.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 101.85 -154.95 18.78 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -48.97 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.655 2.237 . . . . 0.0 112.384 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 80.9 p -135.62 151.93 50.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 93.0 p -75.23 99.64 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.495 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.0 t 58.89 42.21 20.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.855 0.36 . . . . 0.0 110.836 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.2 t -92.24 26.82 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.58 146.05 7.15 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -49.94 171.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.39 . . . . 0.0 110.825 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.2 m -130.47 86.53 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -150.64 41.49 0.78 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -88.82 -178.11 5.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.378 . . . . 0.0 110.923 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 66' ' ' VAL . 43.8 mtpt -72.25 2.2 6.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.486 ' C ' ' O ' ' A' ' 64' ' ' LYS . 4.7 t -31.29 -37.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.148 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 64' ' ' LYS . 42.6 t -87.24 138.17 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.3 t -83.05 124.2 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 15.0 t -41.4 141.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.762 ' HA ' HD12 ' A' ' 72' ' ' LEU . 14.5 ptpt -88.17 -31.05 19.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -71.38 -57.52 4.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.44 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 7.2 t90 -47.08 -38.56 11.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.762 HD12 ' HA ' ' A' ' 69' ' ' LYS . 26.8 mt -44.88 -53.76 7.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.41 ' O ' HD12 ' A' ' 75' ' ' LEU . 56.6 mtm180 -94.36 12.43 27.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.37 51.36 22.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 73' ' ' ARG . 7.0 mp -124.89 31.48 5.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.8 t -134.43 132.56 39.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.92 25.68 11.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -100.98 -55.83 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.486 ' HA2' ' CE1' ' A' ' 86' ' ' HIS . . . 72.5 -98.17 0.82 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.456 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.68 -11.23 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -91.44 -23.87 19.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 15.6 t -50.02 163.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -100.82 1.08 39.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -123.52 168.21 12.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.49 HD11 ' HD3' ' A' ' 92' ' ' LYS . 21.2 mt -75.5 138.59 41.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.486 ' CE1' ' HA2' ' A' ' 79' ' ' GLY . 10.9 m170 -106.99 26.0 10.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -124.87 138.36 54.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -80.22 103.71 10.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -126.21 124.94 41.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.475 ' HE3' ' SD ' ' A' ' 93' ' ' MET . 0.0 OUTLIER -64.99 -7.91 13.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.9 p -105.7 -54.46 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.49 ' HD3' HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -64.18 -38.99 93.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.475 ' SD ' ' HE3' ' A' ' 90' ' ' MET . 19.5 ptm -59.92 152.27 60.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.709 . . . . 0.0 110.88 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 156.18 64.09 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -75.68 161.69 28.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 100' ' ' SER . 12.4 t -53.05 112.62 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.63 -39.03 49.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -68.48 -66.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.403 ' O ' ' HA2' ' A' ' 103' ' ' GLY . 3.9 t80 -58.89 -14.31 8.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.416 ' HB3' ' O ' ' A' ' 96' ' ' CYS . 10.8 t -89.3 -36.71 15.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -94.81 -65.21 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -77.55 -36.19 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.416 ' C ' ' HG2' ' A' ' 104' ' ' GLU . . . 80.29 33.25 32.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.512 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.416 ' HG2' ' C ' ' A' ' 103' ' ' GLY . 36.8 mm-40 -147.71 112.1 5.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.3 t -139.47 116.98 11.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.8 p -90.72 42.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -120.07 97.82 5.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -61.91 -41.12 97.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -97.93 42.04 1.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.4 t -75.86 120.9 83.73 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.581 0.705 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 5.68 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.64 2.227 . . . . 0.0 112.375 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -107.85 161.62 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.416 HD21 ' O ' ' A' ' 90' ' ' MET . 5.3 mp -76.77 134.0 39.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.4 m170 -113.09 94.73 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 78.4 mt -101.16 135.2 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -65.02 139.81 97.9 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.854 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 1.97 3.99 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.656 2.238 . . . . 0.0 112.309 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -94.24 -27.73 16.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t -81.52 -34.43 31.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -84.46 82.99 8.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 14.5 mm -127.54 142.42 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.16 -40.93 3.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.17 -66.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.4 m -49.13 163.08 0.36 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.57 0.7 . . . . 0.0 110.936 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.56 ' HG2' ' CZ3' ' A' ' 126' ' ' TRP . 53.5 Cg_endo -69.78 3.3 2.86 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.271 . . . . 0.0 112.349 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.56 ' CZ3' ' HG2' ' A' ' 125' ' ' PRO . 2.6 m95 -94.09 104.99 17.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.0 t -129.53 -46.3 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 164.86 -96.16 0.13 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -1.8 9.08 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 74.4 m -134.47 42.74 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 t -94.86 83.96 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.482 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.7 p -124.55 -43.79 2.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.904 0.383 . . . . 0.0 110.892 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 t -105.19 -30.52 9.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.13 160.29 24.38 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.532 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.7 p -95.23 171.37 8.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.38 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.5 p -76.46 145.1 39.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -111.19 63.81 0.27 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -58.94 -177.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.579 ' O ' HD12 ' A' ' 85' ' ' LEU . 40.9 mtpt -84.09 17.72 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -38.25 -35.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.4 t -95.82 141.08 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.168 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 85' ' ' LEU . 43.4 t -85.13 126.85 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.8 t -41.31 138.38 1.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.784 ' HA ' HD12 ' A' ' 72' ' ' LEU . 15.3 ptpt -88.73 -24.55 22.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -74.89 -55.59 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.559 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 4.7 t90 -52.02 -37.46 53.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.784 HD12 ' HA ' ' A' ' 69' ' ' LYS . 21.2 mt -49.88 -45.26 50.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -97.43 9.57 42.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.83 46.98 50.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.449 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.1 mt -124.19 29.76 6.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.3 t -134.24 146.47 50.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.06 37.61 3.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -104.86 -39.02 6.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.6 -109.1 2.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.5 -4.2 58.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.773 0.32 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -89.25 -24.17 22.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 7.0 t -49.0 164.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.71 -1.25 43.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -125.05 170.78 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 64' ' ' LYS . 16.3 mt -76.44 132.95 39.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.559 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 10.8 m170 -102.94 22.12 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -126.48 126.76 44.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -61.97 103.87 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -125.88 103.54 7.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.498 ' HE2' ' SD ' ' A' ' 93' ' ' MET . 0.6 OUTLIER -46.99 -20.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.7 p -92.95 -45.01 8.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.494 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 4.7 mmpt? -87.33 26.09 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.498 ' SD ' ' HE2' ' A' ' 90' ' ' MET . 10.1 ptm -120.26 150.89 52.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.901 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 134.31 27.73 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.668 2.245 . . . . 0.0 112.382 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.411 ' CD ' ' H ' ' A' ' 95' ' ' GLU . 27.4 mp0 -62.61 174.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.0 t -65.14 115.64 5.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 1.2 t80 -53.25 -32.93 50.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -72.68 -64.35 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -60.98 -17.76 53.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.1 p -89.55 -24.2 21.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -105.06 -63.99 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -82.54 -32.75 28.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.31 33.11 36.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -149.17 113.42 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.39 126.45 21.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 91.4 p -98.79 43.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -112.68 95.18 5.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -55.67 -41.79 74.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -108.43 47.2 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.97 120.57 80.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.733 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 3.64 2.66 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -104.36 179.71 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.445 HD11 ' HG2' ' A' ' 93' ' ' MET . 5.3 mp -97.66 136.09 38.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 15.1 m170 -111.77 99.92 8.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 58.8 mt -104.73 135.04 44.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.18 138.39 88.23 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.586 0.708 . . . . 0.0 110.891 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -2.84 10.83 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -100.9 -21.58 15.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.0 m -94.34 7.3 45.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -116.19 -11.19 11.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 31.9 mm -42.87 134.36 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -76.82 -42.05 41.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -82.03 52.55 2.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 17.1 m -161.14 145.43 10.17 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.565 0.698 . . . . 0.0 110.908 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.466 ' HG2' ' CZ3' ' A' ' 126' ' ' TRP . 53.9 Cg_endo -69.72 -4.61 14.35 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.466 ' CZ3' ' HG2' ' A' ' 125' ' ' PRO . 2.8 m95 -85.66 101.22 12.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 128' ' ' GLY . 89.9 p -175.14 178.24 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 127' ' ' SER . . . 34.78 -118.97 0.3 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -39.08 6.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.8 t -63.22 -175.26 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.0 p 65.67 30.32 10.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.48 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.5 t -98.56 143.31 29.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.381 . . . . 0.0 110.853 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.5 t -111.74 26.46 10.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.83 56.9 0.49 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.516 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.5 p -86.66 93.63 9.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.915 0.388 . . . . 0.0 110.862 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.7 p -82.42 99.96 9.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.25 170.68 16.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -72.66 -176.85 2.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.557 ' O ' HD12 ' A' ' 85' ' ' LEU . 33.6 mtpt -68.17 -1.15 5.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.459 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.7 t -33.43 -36.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 64' ' ' LYS . 39.8 t -88.73 140.46 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 82.8 t -82.81 133.02 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 9.4 t -51.74 141.91 15.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.795 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -88.29 -21.17 24.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -79.24 -57.49 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.457 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 8.0 t90 -49.82 -37.5 30.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.795 HD12 ' HA ' ' A' ' 69' ' ' LYS . 28.5 mt -45.82 -47.28 15.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.497 ' O ' HD12 ' A' ' 75' ' ' LEU . 7.0 mmm180 -104.55 16.06 26.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.22 51.08 40.7 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.463 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 73' ' ' ARG . 7.2 mp -121.85 24.03 9.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.879 0.371 . . . . 0.0 110.927 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.35 153.57 46.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -134.35 26.13 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 82' ' ' CYS . 49.6 mtpt -99.25 -42.16 7.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.61 -112.27 3.65 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.425 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -85.83 -2.54 58.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.751 0.31 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 78' ' ' LYS . 2.3 mp0 -92.3 -22.96 19.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.467 ' HA ' ' CE ' ' A' ' 78' ' ' LYS . 17.4 t -48.71 160.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.52 0.34 57.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -126.14 167.46 15.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 64' ' ' LYS . 12.3 mt -76.03 136.38 39.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.457 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 17.6 m170 -106.63 25.42 11.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.422 ' CD ' ' HB2' ' A' ' 89' ' ' ASP . 0.3 OUTLIER -130.19 121.39 26.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.873 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -61.46 104.13 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.422 ' HB2' ' CD ' ' A' ' 87' ' ' GLU . 6.0 t0 -126.18 107.08 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 58.4 mmm -44.24 -22.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.401 ' N ' ' C ' ' A' ' 89' ' ' ASP . 41.7 p -92.48 -50.43 5.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 7.8 mmpt? -83.06 29.92 0.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.518 ' CG ' HD11 ' A' ' 113' ' ' LEU . 10.0 ptm -119.8 152.88 54.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.594 0.711 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 128.29 15.83 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -55.78 169.15 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.2 t -61.12 112.58 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.515 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -51.21 -32.68 24.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -73.04 -63.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -63.44 -15.0 56.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.0 t -91.5 -27.13 18.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.8 -64.14 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.965 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -80.51 -29.84 37.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.3 29.58 59.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -145.43 112.73 6.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.849 0.357 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.3 t -139.46 116.08 10.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.4 m -91.9 40.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.792 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -104.5 123.08 46.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -80.79 -39.92 25.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -111.49 46.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.6 t -72.57 117.38 58.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.46 2.73 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.646 2.23 . . . . 0.0 112.36 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -104.07 167.52 9.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.518 HD11 ' CG ' ' A' ' 93' ' ' MET . 5.2 mp -83.98 136.83 33.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.58 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 7.9 m170 -113.43 99.03 7.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 59.2 mt -113.79 137.15 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 4.5 t70 -72.91 141.15 81.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.678 0.751 . . . . 0.0 110.832 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 54.1 Cg_endo -69.76 3.13 2.95 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.645 2.23 . . . . 0.0 112.375 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.606 ' HA ' HD12 ' A' ' 121' ' ' ILE . 13.1 mt-10 -98.15 -41.42 7.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.4 t -58.74 -24.23 61.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -92.04 49.03 1.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.606 HD12 ' HA ' ' A' ' 118' ' ' GLU . 66.3 mt -144.23 138.54 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.115 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 124' ' ' CYS . 3.8 tppp? -91.86 -66.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.96 76.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 122' ' ' LYS . 7.1 p -138.94 150.14 64.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 0.0 110.866 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.575 ' HG2' ' CE3' ' A' ' 126' ' ' TRP . 53.9 Cg_endo -69.8 1.66 4.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.575 ' CE3' ' HG2' ' A' ' 125' ' ' PRO . 0.2 OUTLIER -132.95 107.72 8.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 65.6 m -54.54 177.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.484 ' N ' ' HD2' ' A' ' 129' ' ' PRO . . . -63.4 -59.16 9.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 128' ' ' GLY . 53.9 Cg_endo -69.72 -46.47 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.252 . . . . 0.0 112.381 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 131' ' ' SER . 31.3 t -173.85 143.46 0.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 130' ' ' SER . 13.2 t -34.68 -54.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.503 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.5 m -59.08 110.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.91 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.9 m -94.75 25.53 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.84 168.98 28.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.3 t -77.26 132.39 38.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 110.844 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 80.9 p -59.79 144.43 48.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.15 28.49 25.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.537 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -67.08 -178.13 0.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 66' ' ' VAL . 29.0 mtpt -79.31 12.85 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.8 t -36.78 -29.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 64' ' ' LYS . 24.5 t -104.91 147.68 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 85' ' ' LEU . 89.1 t -86.7 131.21 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 9.3 t -48.54 135.86 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.478 ' HA ' HD12 ' A' ' 72' ' ' LEU . 4.4 ptmt -86.73 -20.18 28.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -79.46 -50.24 11.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.497 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 10.5 t90 -55.62 -37.36 68.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 69' ' ' LYS . 40.6 mt -47.78 -51.05 23.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.4 mtt180 -93.52 15.66 15.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.91 51.61 55.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 80.9 mt -125.31 23.27 7.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.0 t -125.54 147.46 49.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' A' ' 77' ' ' LYS . 0.3 OUTLIER -131.65 35.6 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -107.18 -38.89 5.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.84 -93.03 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -92.43 -2.04 56.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.73 0.3 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -98.36 -15.96 19.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 6.4 t -60.95 165.81 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 0.9 OUTLIER -103.36 -5.01 23.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.475 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 96.9 m-85 -118.23 163.38 16.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.505 ' CD1' ' HB3' ' A' ' 92' ' ' LYS . 20.5 mt -70.2 137.74 51.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.497 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 9.7 m170 -106.8 17.16 23.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -118.15 126.92 53.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.55 104.82 0.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.412 ' O ' ' SD ' ' A' ' 93' ' ' MET . 1.6 m-20 -120.7 144.84 48.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.486 ' CE ' ' SD ' ' A' ' 93' ' ' MET . 0.9 OUTLIER -84.51 -18.96 34.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 69.1 p -104.94 -39.83 6.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.505 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 6.4 mmpt? -80.89 18.59 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.486 ' SD ' ' CE ' ' A' ' 90' ' ' MET . 20.4 ptm -121.27 150.23 53.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.561 0.696 . . . . 0.0 110.885 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 138.87 38.76 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.378 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.628 ' HG2' HD12 ' A' ' 115' ' ' ILE . 6.5 mp0 -57.25 168.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 23.1 t -55.7 114.27 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -49.32 -34.59 15.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -72.62 -66.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -58.14 -18.02 22.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.8 t -91.55 -23.04 20.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -104.9 -65.02 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -82.64 -28.24 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 74.82 31.64 57.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -148.65 113.55 5.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.871 0.367 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.571 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.7 t -139.46 125.05 19.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.5 p -101.91 45.06 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -109.08 124.55 50.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -82.88 -27.94 30.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -122.56 44.84 2.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.9 t -69.69 119.25 69.85 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.666 0.746 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 4.05 2.41 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.653 2.235 . . . . 0.0 112.372 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -106.14 179.18 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.8 mp -96.18 137.72 34.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 10.2 m170 -112.79 95.85 5.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.628 HD12 ' HG2' ' A' ' 95' ' ' GLU . 79.9 mt -105.91 132.42 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 5.9 t70 -70.04 140.57 88.5 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.61 0.719 . . . . 0.0 110.837 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 54.1 Cg_endo -69.79 2.22 3.75 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.318 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -104.79 -18.1 14.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.9 p -83.99 -30.56 26.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -85.47 38.81 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 25.1 mm -105.12 134.7 45.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -52.37 8.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -48.29 -55.36 10.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.8 m -45.37 156.14 0.41 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.604 0.716 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.501 ' HG2' ' CZ3' ' A' ' 126' ' ' TRP . 53.8 Cg_endo -69.76 -18.12 37.18 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.244 . . . . 0.0 112.345 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.501 ' CZ3' ' HG2' ' A' ' 125' ' ' PRO . 2.5 m95 -63.55 118.32 8.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.5 t -94.72 62.29 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 102.59 -161.56 16.87 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -5.45 16.21 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.734 2.29 . . . . 0.0 112.329 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 71.0 m -137.27 106.44 6.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.8 m -88.82 42.63 1.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.15 -0.805 . . . . 0.0 112.507 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.2 m -50.08 168.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.864 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.5 m -94.15 26.72 3.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.816 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.61 92.31 0.13 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.2 m -108.56 80.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.88 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.2 m -138.1 151.65 48.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -127.33 79.73 0.37 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -52.32 177.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.963 0.411 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.561 ' O ' HD12 ' A' ' 85' ' ' LEU . 40.5 mtpt -71.72 1.2 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.932 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.467 ' C ' ' O ' ' A' ' 64' ' ' LYS . 9.8 t -32.32 -41.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.441 ' N ' HG23 ' A' ' 65' ' ' THR . 35.6 t -84.86 134.34 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 92' ' ' LYS . 18.1 t -80.47 124.48 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.6 t -41.27 143.84 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 72' ' ' LEU . 11.4 ptpt -88.84 -31.8 18.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -69.85 -60.14 2.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.514 ' CZ3' HD23 ' A' ' 72' ' ' LEU . 3.1 t90 -43.62 -38.02 2.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 69' ' ' LYS . 35.3 mt -46.76 -47.72 20.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.604 ' HB2' HD13 ' A' ' 75' ' ' LEU . 21.9 mmt180 -100.9 14.41 31.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 66.56 47.14 71.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.604 HD13 ' HB2' ' A' ' 73' ' ' ARG . 9.6 mp -118.96 25.82 9.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.71 142.61 50.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -125.71 29.67 5.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -100.3 -42.76 6.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.84 -108.83 2.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -83.4 0.08 47.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -97.29 -19.92 18.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.7 t -55.37 164.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.72 -8.2 31.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -116.52 166.47 12.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 64' ' ' LYS . 11.3 mt -72.5 134.51 45.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.492 ' N ' ' OE2' ' A' ' 87' ' ' GLU . 9.4 m170 -104.2 30.03 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.492 ' OE2' ' N ' ' A' ' 86' ' ' HIS . 1.7 pm0 -137.33 126.2 24.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.24 103.98 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.95 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 91' ' ' THR . 16.7 m-20 -125.09 101.85 7.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -41.67 -25.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 89' ' ' ASP . 35.2 p -87.78 -46.01 9.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.494 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 3.7 mmpt? -89.61 31.87 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.414 ' HG3' HD11 ' A' ' 113' ' ' LEU . 0.5 OUTLIER -120.12 154.97 56.07 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.529 0.681 . . . . 0.0 110.88 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.41 ' O ' ' SD ' ' A' ' 93' ' ' MET . 54.4 Cg_endo -69.73 113.54 3.4 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.435 ' CB ' ' HB2' ' A' ' 113' ' ' LEU . 27.0 mp0 -50.65 175.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.483 ' CA ' ' HB3' ' A' ' 112' ' ' PHE . 12.6 t -64.62 106.58 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -47.06 -37.24 9.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -69.51 -63.6 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -63.02 -14.98 54.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.2 t -91.25 -26.74 18.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.94 -63.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -80.44 -30.62 37.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.65 34.16 49.95 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -148.97 111.88 4.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.899 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.0 t -139.59 128.78 23.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.8 p -102.47 43.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.437 ' CB ' ' HB2' ' A' ' 110' ' ' CYS . 17.4 m-20 -110.37 113.81 26.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -69.15 -44.31 72.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -108.57 47.28 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.437 ' HB2' ' CB ' ' A' ' 107' ' ' ASN . 4.1 t -72.95 117.15 57.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 4.67 2.06 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.653 2.235 . . . . 0.0 112.317 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.483 ' HB3' ' CA ' ' A' ' 96' ' ' CYS . 36.4 m-85 -105.25 160.04 15.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.435 ' HB2' ' CB ' ' A' ' 95' ' ' GLU . 5.7 mp -78.68 137.68 37.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 10.7 m170 -112.78 97.56 6.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 74.6 mt -106.59 132.75 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.416 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 2.5 t70 -69.28 140.22 90.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 53.2 Cg_endo -69.78 3.0 3.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.718 2.278 . . . . 0.0 112.332 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -102.8 -31.42 10.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.3 m -72.3 -38.12 68.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -66.77 -21.32 66.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.943 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.1 mm -43.58 146.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 123' ' ' ASP . 29.1 tttt -89.19 -56.2 3.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 122' ' ' LYS . 78.0 m-20 -35.28 -42.83 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 9.4 m -54.83 159.08 3.91 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.629 0.728 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.409 ' HG2' ' CZ3' ' A' ' 126' ' ' TRP . 53.3 Cg_endo -69.81 0.81 5.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.314 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.409 ' CZ3' ' HG2' ' A' ' 125' ' ' PRO . 3.5 m95 -88.95 135.23 33.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 75.7 p -76.78 -52.39 9.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 159.28 -86.65 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -42.72 3.15 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.325 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 93.4 p -101.76 79.54 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.0 p -161.08 168.27 24.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.48 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.4 m -88.0 83.92 7.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 110.857 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.9 m -80.41 -32.92 37.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.95 50.41 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.9 t -113.0 121.11 43.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.8 p -118.74 109.38 16.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.22 66.04 0.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.474 ' HG3' HG22 ' A' ' 65' ' ' THR . 8.4 pt-20 -68.94 174.47 4.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.915 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 65' ' ' THR . 36.1 mtpt -67.75 -2.79 7.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.474 HG22 ' HG3' ' A' ' 63' ' ' GLU . 7.3 t -33.16 -42.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.425 ' N ' HG23 ' A' ' 65' ' ' THR . 19.1 t -86.93 141.88 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.0 t -84.56 126.31 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.7 t -43.15 138.55 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.763 ' HA ' HD12 ' A' ' 72' ' ' LEU . 9.0 ptpp? -88.26 -23.79 23.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -77.61 -55.13 5.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.853 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.6 ' CZ2' ' O ' ' A' ' 86' ' ' HIS . 7.6 t90 -49.86 -35.87 24.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' A' ' 69' ' ' LYS . 28.6 mt -47.29 -47.14 25.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -101.08 16.99 23.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 60.97 52.11 54.39 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.4 mt -127.08 25.91 6.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 6.3 t -117.09 143.59 45.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.35 34.24 5.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.49 ' O ' ' NE2' ' A' ' 81' ' ' GLN . 37.6 mttp -113.54 -48.01 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.65 -111.09 3.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.429 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -76.42 -11.37 59.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.757 0.313 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 78' ' ' LYS . 3.4 mp0 -87.87 -23.97 23.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 10.7 t -48.73 155.67 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.471 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 0.8 OUTLIER -93.68 -5.79 47.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 97.2 m-85 -116.91 162.44 17.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.43 HD11 ' HD3' ' A' ' 92' ' ' LYS . 15.7 mt -68.73 138.26 54.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.6 ' O ' ' CZ2' ' A' ' 71' ' ' TRP . 8.2 m170 -106.0 16.21 25.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.428 ' OE1' ' N ' ' A' ' 86' ' ' HIS . 1.6 pm0 -120.95 134.37 55.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -69.66 104.76 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 93' ' ' MET . 7.9 m-20 -120.54 114.7 22.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.838 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.682 ' O ' HD21 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -55.02 -11.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 31.7 p -103.94 -53.79 2.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.105 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.43 ' HD3' HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -63.97 -35.14 79.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.419 ' HG3' HD11 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -59.97 149.39 73.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 123.37 10.02 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.716 2.277 . . . . 0.0 112.288 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.53 ' HA ' HD13 ' A' ' 113' ' ' LEU . 5.7 mp0 -55.01 166.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.5 t -55.08 106.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -48.78 -33.96 11.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -70.88 -59.43 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.86 -14.93 63.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.9 t -89.65 -27.41 20.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -103.05 -64.16 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -81.13 -31.23 34.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 75.78 36.64 41.79 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -150.03 112.26 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.576 ' HB3' ' CE1' ' A' ' 114' ' ' HIS . 4.4 t -139.39 117.99 12.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -90.52 43.61 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -116.77 126.2 52.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -85.19 -43.47 13.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -100.43 41.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 5.6 t -72.05 116.44 48.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.675 0.75 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 5.05 1.86 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.311 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -102.29 175.95 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.682 HD21 ' O ' ' A' ' 90' ' ' MET . 5.4 mp -93.09 135.39 34.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 105' ' ' CYS . 11.8 m170 -112.88 104.15 12.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 65.5 mt -120.2 128.03 75.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 117' ' ' PRO . 4.1 t70 -65.63 140.32 97.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 116' ' ' ASP . 53.4 Cg_endo -69.81 1.38 4.52 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.719 2.279 . . . . 0.0 112.302 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.457 ' O ' ' CD1' ' A' ' 121' ' ' ILE . 14.1 mt-10 -103.21 -23.39 13.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.5 m -95.42 22.47 6.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -126.13 30.13 5.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.457 ' CD1' ' O ' ' A' ' 118' ' ' GLU . 4.8 mp -115.05 141.2 32.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 123' ' ' ASP . 0.0 OUTLIER -112.15 -42.94 3.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.481 ' N ' ' HD3' ' A' ' 122' ' ' LYS . 33.8 t70 -44.37 -38.51 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 123' ' ' ASP . 20.2 p -37.89 145.14 0.32 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.628 0.728 . . . . 0.0 110.843 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -33.53 16.42 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.669 2.246 . . . . 0.0 112.329 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -38.99 102.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.7 m -159.05 176.11 12.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.74 -162.64 25.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.38 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.655 2.237 . . . . 0.0 112.333 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.6 t -98.79 82.29 2.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 77.7 p -97.19 83.71 3.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.495 -179.95 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 256' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_