data_2fxy_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 2fxy _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 ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.789 0.328 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -60.37 -32.81 71.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.73 -52.27 64.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -56.38 -30.2 62.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.87 1.77 29.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.79 -50.54 2.6 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.78 0.324 . . . . 0.0 110.836 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -35.34 72.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.831 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -51.39 65.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.338 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.61 -33.61 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.225 0.536 . . . . 0.0 109.753 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -78.83 -26.29 44.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.557 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.34 -29.95 64.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.945 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.808 0.337 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.3 m -60.24 -31.57 70.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.46 -48.96 14.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -55.22 -31.2 61.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -79.9 1.37 27.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.17 -50.4 2.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.794 0.331 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -58.82 -35.68 73.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -51.48 65.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.337 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.49 -33.8 52.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.217 0.532 . . . . 0.0 109.769 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -78.67 -26.08 44.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.562 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -58.76 -29.43 66.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.017 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.199 -179.929 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.807 0.337 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.36 -31.59 70.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.78 -43.64 53.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.096 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.45 -31.98 70.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.8 t -82.93 5.11 23.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.33 -53.13 2.36 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.81 0.338 . . . . 0.0 110.786 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -57.08 -39.39 74.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -50.22 74.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.435 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.34 -33.23 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.22 0.534 . . . . 0.0 109.876 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.66 -26.06 41.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.65 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -29.73 64.42 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.879 0.371 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.6 m -60.36 -31.57 70.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.67 -43.74 53.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -60.28 -31.99 70.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.5 t -82.81 4.93 23.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.962 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.81 -52.84 2.32 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.832 0.349 . . . . 0.0 110.78 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -37.42 72.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -50.34 73.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.328 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.47 -33.16 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.223 0.535 . . . . 0.0 109.89 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -79.73 -26.29 40.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.658 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.92 -30.04 65.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.955 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.115 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.812 0.339 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -60.41 -34.17 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.88 -46.15 90.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.41 -31.93 70.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.96 5.16 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.972 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.35 -53.21 2.35 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.845 0.355 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -57.13 -39.15 74.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -50.29 74.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.43 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.27 -33.47 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.218 0.532 . . . . 0.0 109.862 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -79.44 -25.8 41.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.62 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.97 -29.15 62.97 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.789 0.328 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.6 m -60.43 -31.57 70.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.93 -56.42 7.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.074 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -54.73 -31.15 57.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.64 1.01 27.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -115.22 -50.84 2.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.741 0.305 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -36.54 74.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -51.57 66.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.328 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.43 -34.06 53.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.205 0.526 . . . . 0.0 109.75 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -78.3 -25.66 46.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.578 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.64 -28.7 63.94 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.069 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.228 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.802 0.334 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.5 m -60.31 -31.5 70.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.32 -46.42 17.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -57.86 -31.41 66.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -78.99 0.21 28.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.7 -50.8 2.69 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.815 0.34 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.08 -35.26 71.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -51.37 65.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.304 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.62 -33.4 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.228 0.537 . . . . 0.0 109.839 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -79.1 -26.38 42.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.603 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.81 -30.08 65.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.089 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.78 0.324 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 t -62.22 -31.68 72.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.62 -45.48 90.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.51 -31.91 70.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.96 5.12 23.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.34 -53.15 2.35 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.765 0.317 . . . . 0.0 110.783 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -57.1 -39.28 74.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -50.32 74.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.418 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.28 -33.36 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.189 0.518 . . . . 0.0 109.82 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -79.5 -26.13 41.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.612 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.79 -29.54 66.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.226 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.838 0.352 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.0 m -60.38 -31.61 70.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.82 -43.67 53.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -60.5 -32.03 71.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.807 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.1 t -83.05 5.17 23.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.932 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.25 -53.5 2.35 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.868 0.366 . . . . 0.0 110.789 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -56.66 -40.01 74.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -49.22 78.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.383 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.77 -32.3 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.854 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -80.73 -27.39 36.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.696 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -58.55 -28.36 65.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.198 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.84 0.352 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -65.63 -31.52 72.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.05 -45.77 19.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -58.04 -31.53 67.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -78.91 0.22 28.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.96 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.71 -50.83 2.69 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.8 0.333 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -35.3 71.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -51.46 65.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.374 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.58 -33.69 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.249 0.547 . . . . 0.0 109.766 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -78.79 -25.9 44.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.625 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.95 -29.36 63.11 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.796 0.331 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.0 m -60.35 -31.57 70.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.01 -43.66 52.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.42 -32.02 70.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.2 t -82.93 5.11 23.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.962 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.31 -53.17 2.36 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.809 0.338 . . . . 0.0 110.799 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.02 -39.36 74.64 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -50.2 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.451 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.3 -33.29 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.208 0.528 . . . . 0.0 109.869 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -79.6 -26.17 41.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.599 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -29.79 64.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.839 0.352 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -60.42 -31.56 70.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.75 -43.67 53.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.45 -31.96 70.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.8 t -82.98 5.1 23.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -118.26 -53.18 2.36 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.831 0.348 . . . . 0.0 110.81 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -57.01 -39.42 74.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -50.11 74.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.482 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.38 -33.09 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.854 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -79.88 -26.19 40.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.629 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -30.07 65.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.134 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.845 0.355 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -65.53 -31.65 72.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.16 -46.5 41.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -59.94 -31.73 70.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.25 4.11 24.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.98 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.13 -53.63 2.25 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.84 0.352 . . . . 0.0 110.793 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -57.35 -37.87 73.25 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -50.61 72.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.367 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.34 -33.58 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.805 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -79.19 -26.18 42.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.563 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -29.65 67.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.193 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.826 0.346 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.3 -41.95 94.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.84 -45.55 77.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -60.43 -31.96 70.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.807 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.03 5.21 23.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.39 -53.24 2.34 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.815 0.34 . . . . 0.0 110.767 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -57.11 -39.09 74.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -50.27 74.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.46 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.28 -33.47 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.209 0.528 . . . . 0.0 109.867 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -79.51 -25.67 41.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.631 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.02 -29.12 63.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.172 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.819 0.342 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.6 m -70.59 -31.65 68.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.39 -43.26 57.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.46 -32.02 71.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.3 t -83.09 5.2 23.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.25 -53.47 2.35 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.848 0.356 . . . . 0.0 110.761 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -56.66 -40.18 75.05 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -49.37 77.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.379 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.7 -32.33 49.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.244 0.545 . . . . 0.0 109.93 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -80.54 -27.27 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.682 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -60.82 -28.57 68.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.223 -179.927 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -91.11 -60.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 123.035 2.49 . . . . 0.0 112.301 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 42.16 35.01 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.659 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -91.03 -54.06 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -60.37 -32.81 71.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.73 -52.27 64.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -56.38 -30.2 62.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.87 1.77 29.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.79 -50.54 2.6 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.78 0.324 . . . . 0.0 110.836 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -35.34 72.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.831 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -51.39 65.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.338 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.61 -33.61 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.225 0.536 . . . . 0.0 109.753 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -78.83 -26.29 44.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.557 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.34 -29.95 64.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -146.31 37.06 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -19.09 61.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm 69.46 37.69 1.94 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.783 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 47.0 pt . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.209 -0.9 . . . . 0.0 111.64 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -91.06 -60.31 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.049 2.499 . . . . 0.0 112.321 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 42.2 61.3 2.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.606 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -90.54 -50.22 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.3 m -60.24 -31.57 70.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.46 -48.96 14.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -55.22 -31.2 61.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -79.9 1.37 27.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.17 -50.4 2.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.794 0.331 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -58.82 -35.68 73.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -51.48 65.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.337 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.49 -33.8 52.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.217 0.532 . . . . 0.0 109.769 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -78.67 -26.08 44.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.562 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -58.76 -29.43 66.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.017 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.64 37.11 3.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.199 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.88 -3.07 52.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.265 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt 68.57 57.44 0.43 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.5 pt . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.111 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -91.12 -60.34 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.989 2.459 . . . . 0.0 112.337 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 42.09 32.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.629 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -137.46 -64.72 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.36 -31.59 70.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.78 -43.64 53.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.096 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.45 -31.98 70.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.8 t -82.93 5.11 23.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.33 -53.13 2.36 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.81 0.338 . . . . 0.0 110.786 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -57.08 -39.39 74.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -50.22 74.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.435 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.34 -33.23 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.22 0.534 . . . . 0.0 109.876 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.66 -26.06 41.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.65 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -29.73 64.42 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -146.34 36.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -61.43 -19.1 61.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp 69.62 38.26 1.75 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.861 0.363 . . . . 0.0 110.768 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 38.3 pt . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.272 -0.87 . . . . 0.0 111.11 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -91.13 -60.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.023 2.482 . . . . 0.0 112.269 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 42.19 33.08 0.36 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.65 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -94.92 -38.98 10.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.6 m -60.36 -31.57 70.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.67 -43.74 53.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -60.28 -31.99 70.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.5 t -82.81 4.93 23.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.962 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.81 -52.84 2.32 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.832 0.349 . . . . 0.0 110.78 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -37.42 72.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -50.34 73.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.328 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.47 -33.16 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.223 0.535 . . . . 0.0 109.89 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -79.73 -26.29 40.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.658 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.92 -30.04 65.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.955 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.1 39.48 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.48 -19.25 61.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm 69.37 36.96 2.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.8 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.2 pt . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.156 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.4 ' CG ' ' H ' ' A' ' 57' ' ' GLU . 85.4 Cg_endo -91.08 -60.38 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.051 2.501 . . . . 0.0 112.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' H ' ' CG ' ' A' ' 56' ' ' PRO . 2.5 tm-20 42.07 32.51 0.31 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.636 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -107.6 -58.73 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -60.41 -34.17 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.88 -46.15 90.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.41 -31.93 70.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.96 5.16 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.972 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.35 -53.21 2.35 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.845 0.355 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -57.13 -39.15 74.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -50.29 74.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.43 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.27 -33.47 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.218 0.532 . . . . 0.0 109.862 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -79.44 -25.8 41.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.62 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.97 -29.15 62.97 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -149.42 38.27 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.0 ttpp -61.36 -19.49 61.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.043 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt 69.92 40.21 1.31 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.841 0.353 . . . . 0.0 110.771 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 13.7 pt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.127 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -91.13 -60.37 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 123.001 2.468 . . . . 0.0 112.276 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 42.12 32.45 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.684 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.69 -72.29 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.6 m -60.43 -31.57 70.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.93 -56.42 7.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.074 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -54.73 -31.15 57.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.64 1.01 27.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -115.22 -50.84 2.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.741 0.305 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -36.54 74.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -51.57 66.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.328 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.43 -34.06 53.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.205 0.526 . . . . 0.0 109.75 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -78.3 -25.66 46.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.578 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.64 -28.7 63.94 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.069 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -135.96 36.8 2.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.228 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.62 -3.06 58.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.275 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.49 38.88 15.48 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.856 0.36 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.5 pt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.12 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -91.08 -60.38 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 123.015 2.476 . . . . 0.0 112.278 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 42.1 32.45 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.692 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -107.49 -69.25 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.5 m -60.31 -31.5 70.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.32 -46.42 17.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -57.86 -31.41 66.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -78.99 0.21 28.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.7 -50.8 2.69 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.815 0.34 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.08 -35.26 71.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -51.37 65.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.304 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.62 -33.4 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.228 0.537 . . . . 0.0 109.839 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -79.1 -26.38 42.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.603 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.81 -30.08 65.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.25 39.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.089 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -19.18 61.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp 69.27 37.74 2.02 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.9 pt . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.09 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -91.15 -60.33 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.007 2.472 . . . . 0.0 112.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 42.08 32.46 0.3 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.693 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.58 -64.54 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 t -62.22 -31.68 72.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.62 -45.48 90.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.51 -31.91 70.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.96 5.12 23.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.34 -53.15 2.35 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.765 0.317 . . . . 0.0 110.783 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -57.1 -39.28 74.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -50.32 74.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.418 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.28 -33.36 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.189 0.518 . . . . 0.0 109.82 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -79.5 -26.13 41.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.612 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.79 -29.54 66.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -131.19 30.73 4.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.226 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -80.94 -3.3 51.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.319 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? 61.02 36.9 18.36 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.892 0.377 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 18.2 pt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.148 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -91.07 -60.37 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.022 2.482 . . . . 0.0 112.328 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 42.1 32.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.678 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -107.71 -59.47 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.0 m -60.38 -31.61 70.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.82 -43.67 53.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -60.5 -32.03 71.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.807 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.1 t -83.05 5.17 23.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.932 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.25 -53.5 2.35 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.868 0.366 . . . . 0.0 110.789 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -56.66 -40.01 74.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -49.22 78.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.383 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.77 -32.3 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.854 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -80.73 -27.39 36.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.696 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -58.55 -28.36 65.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -144.64 35.03 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.198 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -60.8 -19.65 59.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.04 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt 70.61 34.26 2.16 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.896 0.379 . . . . 0.0 110.777 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.7 pt . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.116 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -91.11 -60.36 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 122.959 2.439 . . . . 0.0 112.295 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 42.09 32.85 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.627 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.97 -73.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -65.63 -31.52 72.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.05 -45.77 19.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -58.04 -31.53 67.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -78.91 0.22 28.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.96 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.71 -50.83 2.69 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.8 0.333 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -35.3 71.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -51.46 65.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.374 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.58 -33.69 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.249 0.547 . . . . 0.0 109.766 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -78.79 -25.9 44.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.625 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.95 -29.36 63.11 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -149.07 38.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -61.29 -19.45 61.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm 69.82 40.24 1.34 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.9 0.381 . . . . 0.0 110.779 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.5 pt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.131 179.922 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -91.13 -60.4 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 123.036 2.491 . . . . 0.0 112.286 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 42.17 37.56 0.91 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.679 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.2 -53.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.0 m -60.35 -31.57 70.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.01 -43.66 52.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.42 -32.02 70.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.2 t -82.93 5.11 23.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.962 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.31 -53.17 2.36 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.809 0.338 . . . . 0.0 110.799 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.02 -39.36 74.64 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -50.2 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.451 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.3 -33.29 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.208 0.528 . . . . 0.0 109.869 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -79.6 -26.17 41.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.599 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -29.79 64.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -146.28 36.96 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -61.56 -19.1 61.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm 69.44 37.79 1.93 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.74 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 47.0 pt . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.713 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -91.09 -60.35 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.023 2.482 . . . . 0.0 112.313 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 42.12 32.45 0.31 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.653 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.96 -46.03 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -60.42 -31.56 70.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.75 -43.67 53.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.45 -31.96 70.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.8 t -82.98 5.1 23.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -118.26 -53.18 2.36 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.831 0.348 . . . . 0.0 110.81 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -57.01 -39.42 74.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -50.11 74.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.482 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.38 -33.09 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.854 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -79.88 -26.19 40.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.629 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -30.07 65.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.06 39.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -61.52 -19.27 61.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.066 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt 69.39 37.84 1.94 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.843 0.354 . . . . 0.0 110.786 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 19.2 pt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.127 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.401 ' CG ' ' H ' ' A' ' 57' ' ' GLU . 87.1 Cg_endo -91.04 -60.38 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.08 2.52 . . . . 0.0 112.335 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' H ' ' CG ' ' A' ' 56' ' ' PRO . 1.0 OUTLIER 42.1 32.47 0.31 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.609 179.773 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.95 -38.67 66.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -65.53 -31.65 72.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.16 -46.5 41.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -59.94 -31.73 70.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.25 4.11 24.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.98 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.13 -53.63 2.25 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.84 0.352 . . . . 0.0 110.793 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -57.35 -37.87 73.25 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -50.61 72.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.367 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.34 -33.58 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.805 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -79.19 -26.18 42.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.563 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -29.65 67.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -131.04 30.82 4.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.193 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -81.18 -3.32 51.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.315 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? 60.97 36.39 18.71 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.769 0.319 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 42.2 pt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.681 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -91.13 -60.31 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 122.974 2.449 . . . . 0.0 112.331 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 42.13 32.51 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.635 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -107.21 -56.47 2.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.3 -41.95 94.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.84 -45.55 77.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -60.43 -31.96 70.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.807 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.03 5.21 23.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.39 -53.24 2.34 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.815 0.34 . . . . 0.0 110.767 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -57.11 -39.09 74.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -50.27 74.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.46 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.28 -33.47 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.209 0.528 . . . . 0.0 109.867 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -79.51 -25.67 41.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.631 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.02 -29.12 63.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -149.42 38.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -61.32 -19.52 61.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.043 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt 69.93 40.18 1.31 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.883 0.373 . . . . 0.0 110.829 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.0 pt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.122 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -91.08 -60.33 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.024 2.483 . . . . 0.0 112.34 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 42.1 33.5 0.39 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.647 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.82 -67.12 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.6 m -70.59 -31.65 68.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.39 -43.26 57.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.46 -32.02 71.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.3 t -83.09 5.2 23.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.25 -53.47 2.35 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.848 0.356 . . . . 0.0 110.761 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -56.66 -40.18 75.05 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -49.37 77.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.379 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.7 -32.33 49.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.244 0.545 . . . . 0.0 109.93 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -80.54 -27.27 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.682 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -60.82 -28.57 68.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -125.17 30.24 5.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.223 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.88 -3.04 57.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.292 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt 67.12 37.69 3.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.884 0.373 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.2 pt . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.122 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.789 0.328 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -60.37 -32.81 71.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.73 -52.27 64.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -56.38 -30.2 62.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.87 1.77 29.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.79 -50.54 2.6 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.78 0.324 . . . . 0.0 110.836 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -35.34 72.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.831 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.406 ' HE1' ' HA ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -63.62 -51.39 65.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.338 179.589 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.406 ' HA ' ' HE1' ' A' ' 65' ' ' MET . 2.5 t -59.61 -33.61 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.225 0.536 . . . . 0.0 109.753 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -78.83 -26.29 44.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.557 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.34 -29.95 64.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.945 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.808 0.337 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.485 ' O ' HG22 ' A' ' 62' ' ' THR . 74.3 m -60.24 -31.57 70.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.46 -48.96 14.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -55.22 -31.2 61.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.485 HG22 ' O ' ' A' ' 59' ' ' SER . 10.2 t -79.9 1.37 27.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.17 -50.4 2.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.794 0.331 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -58.82 -35.68 73.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.417 ' HE1' ' HA ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -63.33 -51.48 65.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.337 179.622 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.417 ' HA ' ' HE1' ' A' ' 65' ' ' MET . 2.5 t -59.49 -33.8 52.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.217 0.532 . . . . 0.0 109.769 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -78.67 -26.08 44.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.562 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -58.76 -29.43 66.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.017 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.199 -179.929 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.807 0.337 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.36 -31.59 70.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.78 -43.64 53.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.096 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.45 -31.98 70.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.8 t -82.93 5.11 23.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.33 -53.13 2.36 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.81 0.338 . . . . 0.0 110.786 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -57.08 -39.39 74.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -50.22 74.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.435 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.34 -33.23 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.22 0.534 . . . . 0.0 109.876 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.66 -26.06 41.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.65 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -29.73 64.42 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.879 0.371 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.6 m -60.36 -31.57 70.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.67 -43.74 53.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -60.28 -31.99 70.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.5 t -82.81 4.93 23.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.962 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.81 -52.84 2.32 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.832 0.349 . . . . 0.0 110.78 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -37.42 72.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -50.34 73.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.328 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.47 -33.16 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.223 0.535 . . . . 0.0 109.89 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -79.73 -26.29 40.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.658 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.92 -30.04 65.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.955 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.115 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.812 0.339 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -60.41 -34.17 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.88 -46.15 90.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.41 -31.93 70.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.96 5.16 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.972 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.35 -53.21 2.35 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.845 0.355 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -57.13 -39.15 74.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -50.29 74.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.43 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.27 -33.47 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.218 0.532 . . . . 0.0 109.862 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -79.44 -25.8 41.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.62 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.97 -29.15 62.97 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.789 0.328 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.6 m -60.43 -31.57 70.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.93 -56.42 7.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.074 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -54.73 -31.15 57.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.64 1.01 27.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -115.22 -50.84 2.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.741 0.305 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -36.54 74.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -51.57 66.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.328 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.43 -34.06 53.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.205 0.526 . . . . 0.0 109.75 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -78.3 -25.66 46.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.578 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.64 -28.7 63.94 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.069 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.228 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.802 0.334 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.465 ' O ' HG22 ' A' ' 62' ' ' THR . 18.5 m -60.31 -31.5 70.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.32 -46.42 17.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -57.86 -31.41 66.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 59' ' ' SER . 10.2 t -78.99 0.21 28.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.7 -50.8 2.69 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.815 0.34 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.08 -35.26 71.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -51.37 65.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.304 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.418 HG23 ' H ' ' A' ' 66' ' ' VAL . 2.5 t -59.62 -33.4 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.228 0.537 . . . . 0.0 109.839 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -79.1 -26.38 42.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.603 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.81 -30.08 65.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.089 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.78 0.324 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 t -62.22 -31.68 72.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.62 -45.48 90.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.51 -31.91 70.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.96 5.12 23.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.34 -53.15 2.35 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.765 0.317 . . . . 0.0 110.783 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -57.1 -39.28 74.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -50.32 74.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.418 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.28 -33.36 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.189 0.518 . . . . 0.0 109.82 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -79.5 -26.13 41.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.612 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.79 -29.54 66.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.226 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.838 0.352 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.0 m -60.38 -31.61 70.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.82 -43.67 53.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -60.5 -32.03 71.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.807 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.1 t -83.05 5.17 23.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.932 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.25 -53.5 2.35 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.868 0.366 . . . . 0.0 110.789 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -56.66 -40.01 74.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -49.22 78.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.383 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.77 -32.3 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.854 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -80.73 -27.39 36.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.696 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -58.55 -28.36 65.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.198 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.84 0.352 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.469 ' O ' HG22 ' A' ' 62' ' ' THR . 2.7 m -65.63 -31.52 72.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.05 -45.77 19.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -58.04 -31.53 67.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 59' ' ' SER . 10.2 t -78.91 0.22 28.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.96 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.71 -50.83 2.69 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.8 0.333 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -35.3 71.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -51.46 65.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.374 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 66' ' ' VAL . 2.5 t -59.58 -33.69 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.249 0.547 . . . . 0.0 109.766 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -78.79 -25.9 44.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.625 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.95 -29.36 63.11 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.796 0.331 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.0 m -60.35 -31.57 70.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.01 -43.66 52.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.42 -32.02 70.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.2 t -82.93 5.11 23.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.962 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.31 -53.17 2.36 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.809 0.338 . . . . 0.0 110.799 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.02 -39.36 74.64 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -50.2 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.451 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.3 -33.29 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.208 0.528 . . . . 0.0 109.869 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -79.6 -26.17 41.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.599 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -29.79 64.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.839 0.352 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -60.42 -31.56 70.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.75 -43.67 53.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.45 -31.96 70.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.8 t -82.98 5.1 23.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -118.26 -53.18 2.36 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.831 0.348 . . . . 0.0 110.81 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -57.01 -39.42 74.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -50.11 74.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.482 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.38 -33.09 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.854 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -79.88 -26.19 40.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.629 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -30.07 65.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.134 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.845 0.355 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -65.53 -31.65 72.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.16 -46.5 41.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -59.94 -31.73 70.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.25 4.11 24.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.98 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.13 -53.63 2.25 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.84 0.352 . . . . 0.0 110.793 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -57.35 -37.87 73.25 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -50.61 72.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.367 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.34 -33.58 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.805 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -79.19 -26.18 42.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.563 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -29.65 67.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.193 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.826 0.346 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.3 -41.95 94.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.84 -45.55 77.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -60.43 -31.96 70.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.807 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.03 5.21 23.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.39 -53.24 2.34 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.815 0.34 . . . . 0.0 110.767 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -57.11 -39.09 74.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -50.27 74.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.46 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.28 -33.47 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.209 0.528 . . . . 0.0 109.867 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -79.51 -25.67 41.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.631 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.02 -29.12 63.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.172 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.819 0.342 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.6 m -70.59 -31.65 68.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.39 -43.26 57.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.46 -32.02 71.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.3 t -83.09 5.2 23.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.25 -53.47 2.35 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.848 0.356 . . . . 0.0 110.761 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -56.66 -40.18 75.05 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -49.37 77.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.379 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.7 -32.33 49.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.244 0.545 . . . . 0.0 109.93 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -80.54 -27.27 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.682 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -60.82 -28.57 68.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.223 -179.927 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -91.11 -60.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 123.035 2.49 . . . . 0.0 112.301 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 42.16 35.01 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.659 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -91.03 -54.06 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -60.37 -32.81 71.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.73 -52.27 64.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -56.38 -30.2 62.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.87 1.77 29.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.79 -50.54 2.6 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.78 0.324 . . . . 0.0 110.836 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -35.34 72.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.831 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.406 ' HE1' ' HA ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -63.62 -51.39 65.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.338 179.589 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.406 ' HA ' ' HE1' ' A' ' 65' ' ' MET . 2.5 t -59.61 -33.61 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.225 0.536 . . . . 0.0 109.753 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -78.83 -26.29 44.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.557 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.34 -29.95 64.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -146.31 37.06 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -19.09 61.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm 69.46 37.69 1.94 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.783 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 47.0 pt . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.209 -0.9 . . . . 0.0 111.64 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -91.06 -60.31 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.049 2.499 . . . . 0.0 112.321 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.446 ' HG2' ' HB3' ' A' ' 60' ' ' ALA . 5.0 tt0 42.2 61.3 2.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.606 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -90.54 -50.22 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.485 ' O ' HG22 ' A' ' 62' ' ' THR . 74.3 m -60.24 -31.57 70.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.446 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . . . -78.46 -48.96 14.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -55.22 -31.2 61.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.485 HG22 ' O ' ' A' ' 59' ' ' SER . 10.2 t -79.9 1.37 27.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.17 -50.4 2.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.794 0.331 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -58.82 -35.68 73.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.417 ' HE1' ' HA ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -63.33 -51.48 65.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.337 179.622 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.417 ' HA ' ' HE1' ' A' ' 65' ' ' MET . 2.5 t -59.49 -33.8 52.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.217 0.532 . . . . 0.0 109.769 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.665 ' HG3' HD11 ' A' ' 72' ' ' ILE . 53.8 tt0 -78.67 -26.08 44.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.562 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -58.76 -29.43 66.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.017 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.64 37.11 3.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.199 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.607 ' HE3' HD13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -93.88 -3.07 52.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.265 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt 68.57 57.44 0.43 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.665 HD11 ' HG3' ' A' ' 67' ' ' GLU . 2.5 pt . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -91.12 -60.34 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.989 2.459 . . . . 0.0 112.337 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 42.09 32.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.629 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -137.46 -64.72 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.36 -31.59 70.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.78 -43.64 53.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.096 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.45 -31.98 70.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.8 t -82.93 5.11 23.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.33 -53.13 2.36 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.81 0.338 . . . . 0.0 110.786 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -57.08 -39.39 74.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -50.22 74.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.435 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.34 -33.23 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.22 0.534 . . . . 0.0 109.876 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.66 -26.06 41.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.65 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -29.73 64.42 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -146.34 36.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -61.43 -19.1 61.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp 69.62 38.26 1.75 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.861 0.363 . . . . 0.0 110.768 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 38.3 pt . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.272 -0.87 . . . . 0.0 111.11 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -91.13 -60.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.023 2.482 . . . . 0.0 112.269 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 42.19 33.08 0.36 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.65 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -94.92 -38.98 10.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.6 m -60.36 -31.57 70.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.67 -43.74 53.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -60.28 -31.99 70.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.5 t -82.81 4.93 23.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.962 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.81 -52.84 2.32 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.832 0.349 . . . . 0.0 110.78 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -37.42 72.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -50.34 73.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.328 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.47 -33.16 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.223 0.535 . . . . 0.0 109.89 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -79.73 -26.29 40.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.658 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.92 -30.04 65.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.955 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.1 39.48 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.739 ' HE3' HD11 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -61.48 -19.25 61.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm 69.37 36.96 2.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.8 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.739 HD11 ' HE3' ' A' ' 70' ' ' LYS . 12.2 pt . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.156 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -91.08 -60.38 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.051 2.501 . . . . 0.0 112.293 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 42.07 32.51 0.31 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.636 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -107.6 -58.73 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -60.41 -34.17 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.88 -46.15 90.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.41 -31.93 70.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.96 5.16 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.972 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.35 -53.21 2.35 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.845 0.355 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -57.13 -39.15 74.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -50.29 74.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.43 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.27 -33.47 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.218 0.532 . . . . 0.0 109.862 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -79.44 -25.8 41.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.62 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.97 -29.15 62.97 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -149.42 38.27 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.681 ' HG2' HG23 ' A' ' 72' ' ' ILE . 10.0 ttpp -61.36 -19.49 61.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.043 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt 69.92 40.21 1.31 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.841 0.353 . . . . 0.0 110.771 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.681 HG23 ' HG2' ' A' ' 70' ' ' LYS . 13.7 pt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -91.13 -60.37 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 123.001 2.468 . . . . 0.0 112.276 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 42.12 32.45 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.684 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.69 -72.29 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.6 m -60.43 -31.57 70.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.93 -56.42 7.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.074 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -54.73 -31.15 57.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.64 1.01 27.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -115.22 -50.84 2.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.741 0.305 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -36.54 74.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -51.57 66.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.328 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.43 -34.06 53.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.205 0.526 . . . . 0.0 109.75 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -78.3 -25.66 46.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.578 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.64 -28.7 63.94 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.069 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -135.96 36.8 2.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.228 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.62 -3.06 58.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.275 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.49 38.88 15.48 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.856 0.36 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.5 pt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.12 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -91.08 -60.38 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 123.015 2.476 . . . . 0.0 112.278 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 42.1 32.45 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.692 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -107.49 -69.25 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.465 ' O ' HG22 ' A' ' 62' ' ' THR . 18.5 m -60.31 -31.5 70.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.32 -46.42 17.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -57.86 -31.41 66.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 59' ' ' SER . 10.2 t -78.99 0.21 28.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.7 -50.8 2.69 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.815 0.34 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.08 -35.26 71.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -51.37 65.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.304 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.418 HG23 ' H ' ' A' ' 66' ' ' VAL . 2.5 t -59.62 -33.4 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.228 0.537 . . . . 0.0 109.839 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -79.1 -26.38 42.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.603 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.81 -30.08 65.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.25 39.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.089 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.455 ' HB3' HG23 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -61.51 -19.18 61.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp 69.27 37.74 2.02 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.455 HG23 ' HB3' ' A' ' 70' ' ' LYS . 14.9 pt . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -91.15 -60.33 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.007 2.472 . . . . 0.0 112.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 42.08 32.46 0.3 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.693 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.58 -64.54 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 t -62.22 -31.68 72.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.62 -45.48 90.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.51 -31.91 70.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.96 5.12 23.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.34 -53.15 2.35 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.765 0.317 . . . . 0.0 110.783 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -57.1 -39.28 74.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -50.32 74.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.418 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.28 -33.36 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.189 0.518 . . . . 0.0 109.82 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -79.5 -26.13 41.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.612 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.79 -29.54 66.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -131.19 30.73 4.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.226 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -80.94 -3.3 51.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.319 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? 61.02 36.9 18.36 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.892 0.377 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 18.2 pt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.148 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -91.07 -60.37 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.022 2.482 . . . . 0.0 112.328 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 42.1 32.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.678 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -107.71 -59.47 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.0 m -60.38 -31.61 70.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.82 -43.67 53.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -60.5 -32.03 71.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.807 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.1 t -83.05 5.17 23.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.932 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.25 -53.5 2.35 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.868 0.366 . . . . 0.0 110.789 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -56.66 -40.01 74.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -49.22 78.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.383 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.77 -32.3 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.854 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -80.73 -27.39 36.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.696 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -58.55 -28.36 65.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -144.64 35.03 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.198 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.735 ' HG3' HG23 ' A' ' 72' ' ' ILE . 1.4 tptt -60.8 -19.65 59.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.04 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt 70.61 34.26 2.16 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.896 0.379 . . . . 0.0 110.777 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.735 HG23 ' HG3' ' A' ' 70' ' ' LYS . 16.7 pt . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -91.11 -60.36 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 122.959 2.439 . . . . 0.0 112.295 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 42.09 32.85 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.627 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.97 -73.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.469 ' O ' HG22 ' A' ' 62' ' ' THR . 2.7 m -65.63 -31.52 72.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.05 -45.77 19.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -58.04 -31.53 67.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 59' ' ' SER . 10.2 t -78.91 0.22 28.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.96 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.71 -50.83 2.69 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.8 0.333 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -35.3 71.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -51.46 65.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.374 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 66' ' ' VAL . 2.5 t -59.58 -33.69 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.249 0.547 . . . . 0.0 109.766 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -78.79 -25.9 44.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.625 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.95 -29.36 63.11 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -149.07 38.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.689 ' HG2' HG23 ' A' ' 72' ' ' ILE . 17.6 ttpt -61.29 -19.45 61.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm 69.82 40.24 1.34 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.9 0.381 . . . . 0.0 110.779 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.689 HG23 ' HG2' ' A' ' 70' ' ' LYS . 16.5 pt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -91.13 -60.4 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 123.036 2.491 . . . . 0.0 112.286 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 42.17 37.56 0.91 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.679 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.2 -53.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.0 m -60.35 -31.57 70.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.01 -43.66 52.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.42 -32.02 70.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.2 t -82.93 5.11 23.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.962 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.31 -53.17 2.36 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.809 0.338 . . . . 0.0 110.799 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.02 -39.36 74.64 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -50.2 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.451 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.3 -33.29 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.208 0.528 . . . . 0.0 109.869 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -79.6 -26.17 41.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.599 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -29.79 64.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -146.28 36.96 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -61.56 -19.1 61.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm 69.44 37.79 1.93 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.74 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 47.0 pt . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.713 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -91.09 -60.35 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.023 2.482 . . . . 0.0 112.313 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 42.12 32.45 0.31 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.653 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.96 -46.03 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -60.42 -31.56 70.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.75 -43.67 53.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.45 -31.96 70.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.8 t -82.98 5.1 23.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -118.26 -53.18 2.36 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.831 0.348 . . . . 0.0 110.81 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -57.01 -39.42 74.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -50.11 74.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.482 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.468 HG12 ' HG3' ' A' ' 70' ' ' LYS . 2.5 t -59.38 -33.09 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.854 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -79.88 -26.19 40.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.629 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -30.07 65.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.06 39.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.468 ' HG3' HG12 ' A' ' 66' ' ' VAL . 2.4 ttpp -61.52 -19.27 61.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.066 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt 69.39 37.84 1.94 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.843 0.354 . . . . 0.0 110.786 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 19.2 pt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.127 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -91.04 -60.38 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.08 2.52 . . . . 0.0 112.335 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.572 ' HG2' ' HB3' ' A' ' 60' ' ' ALA . 1.0 OUTLIER 42.1 32.47 0.31 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.609 179.773 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.95 -38.67 66.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -65.53 -31.65 72.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.572 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . . . -74.16 -46.5 41.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -59.94 -31.73 70.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.25 4.11 24.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.98 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.13 -53.63 2.25 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.84 0.352 . . . . 0.0 110.793 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -57.35 -37.87 73.25 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -50.61 72.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.367 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.34 -33.58 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.805 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -79.19 -26.18 42.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.563 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -29.65 67.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -131.04 30.82 4.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.193 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -81.18 -3.32 51.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.315 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? 60.97 36.39 18.71 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.769 0.319 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 42.2 pt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.681 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -91.13 -60.31 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 122.974 2.449 . . . . 0.0 112.331 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 42.13 32.51 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.635 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -107.21 -56.47 2.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.3 -41.95 94.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.84 -45.55 77.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -60.43 -31.96 70.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.807 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.03 5.21 23.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.39 -53.24 2.34 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.815 0.34 . . . . 0.0 110.767 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -57.11 -39.09 74.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -50.27 74.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.46 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.28 -33.47 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.209 0.528 . . . . 0.0 109.867 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -79.51 -25.67 41.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.631 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.02 -29.12 63.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -149.42 38.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.693 ' HG2' HG23 ' A' ' 72' ' ' ILE . 9.9 ttpp -61.32 -19.52 61.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.043 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt 69.93 40.18 1.31 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.883 0.373 . . . . 0.0 110.829 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.693 HG23 ' HG2' ' A' ' 70' ' ' LYS . 2.0 pt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.122 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -91.08 -60.33 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.024 2.483 . . . . 0.0 112.34 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 42.1 33.5 0.39 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.647 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.82 -67.12 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.6 m -70.59 -31.65 68.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.39 -43.26 57.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.46 -32.02 71.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.3 t -83.09 5.2 23.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.25 -53.47 2.35 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.848 0.356 . . . . 0.0 110.761 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -56.66 -40.18 75.05 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -49.37 77.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.379 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.7 -32.33 49.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.244 0.545 . . . . 0.0 109.93 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -80.54 -27.27 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.682 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -60.82 -28.57 68.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -125.17 30.24 5.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.223 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.463 ' HE2' HG22 ' A' ' 72' ' ' ILE . 1.0 OUTLIER -90.88 -3.04 57.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.292 179.81 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt 67.12 37.69 3.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.884 0.373 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.463 HG22 ' HE2' ' A' ' 70' ' ' LYS . 14.2 pt . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.122 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.789 0.328 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -60.37 -32.81 71.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.73 -52.27 64.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -56.38 -30.2 62.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.87 1.77 29.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.79 -50.54 2.6 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.78 0.324 . . . . 0.0 110.836 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -35.34 72.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.831 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.406 ' HE1' ' HA ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -63.62 -51.39 65.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.338 179.589 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.406 ' HA ' ' HE1' ' A' ' 65' ' ' MET . 2.5 t -59.61 -33.61 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.225 0.536 . . . . 0.0 109.753 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -78.83 -26.29 44.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.557 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.34 -29.95 64.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.945 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.808 0.337 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.485 ' O ' HG22 ' A' ' 62' ' ' THR . 74.3 m -60.24 -31.57 70.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.46 -48.96 14.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -55.22 -31.2 61.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.485 HG22 ' O ' ' A' ' 59' ' ' SER . 10.2 t -79.9 1.37 27.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.17 -50.4 2.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.794 0.331 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -58.82 -35.68 73.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.417 ' HE1' ' HA ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -63.33 -51.48 65.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.337 179.622 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.417 ' HA ' ' HE1' ' A' ' 65' ' ' MET . 2.5 t -59.49 -33.8 52.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.217 0.532 . . . . 0.0 109.769 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -78.67 -26.08 44.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.562 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -58.76 -29.43 66.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.017 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.199 -179.929 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.807 0.337 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.36 -31.59 70.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.78 -43.64 53.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.096 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.45 -31.98 70.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.8 t -82.93 5.11 23.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.33 -53.13 2.36 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.81 0.338 . . . . 0.0 110.786 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -57.08 -39.39 74.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -50.22 74.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.435 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.34 -33.23 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.22 0.534 . . . . 0.0 109.876 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.66 -26.06 41.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.65 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -29.73 64.42 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.879 0.371 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.6 m -60.36 -31.57 70.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.67 -43.74 53.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -60.28 -31.99 70.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.5 t -82.81 4.93 23.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.962 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.81 -52.84 2.32 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.832 0.349 . . . . 0.0 110.78 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -37.42 72.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -50.34 73.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.328 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.47 -33.16 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.223 0.535 . . . . 0.0 109.89 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -79.73 -26.29 40.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.658 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.92 -30.04 65.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.955 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.115 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.812 0.339 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -60.41 -34.17 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.88 -46.15 90.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.41 -31.93 70.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.96 5.16 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.972 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.35 -53.21 2.35 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.845 0.355 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -57.13 -39.15 74.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -50.29 74.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.43 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.27 -33.47 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.218 0.532 . . . . 0.0 109.862 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -79.44 -25.8 41.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.62 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.97 -29.15 62.97 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.789 0.328 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.6 m -60.43 -31.57 70.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.93 -56.42 7.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.074 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -54.73 -31.15 57.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.64 1.01 27.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -115.22 -50.84 2.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.741 0.305 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -36.54 74.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -51.57 66.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.328 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.43 -34.06 53.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.205 0.526 . . . . 0.0 109.75 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -78.3 -25.66 46.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.578 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.64 -28.7 63.94 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.069 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.228 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.802 0.334 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.465 ' O ' HG22 ' A' ' 62' ' ' THR . 18.5 m -60.31 -31.5 70.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.32 -46.42 17.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -57.86 -31.41 66.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 59' ' ' SER . 10.2 t -78.99 0.21 28.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.7 -50.8 2.69 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.815 0.34 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.08 -35.26 71.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -51.37 65.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.304 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.418 HG23 ' H ' ' A' ' 66' ' ' VAL . 2.5 t -59.62 -33.4 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.228 0.537 . . . . 0.0 109.839 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -79.1 -26.38 42.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.603 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.81 -30.08 65.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.089 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.78 0.324 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 t -62.22 -31.68 72.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.62 -45.48 90.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.51 -31.91 70.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.96 5.12 23.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.34 -53.15 2.35 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.765 0.317 . . . . 0.0 110.783 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -57.1 -39.28 74.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -50.32 74.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.418 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.28 -33.36 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.189 0.518 . . . . 0.0 109.82 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -79.5 -26.13 41.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.612 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.79 -29.54 66.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.226 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.838 0.352 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.0 m -60.38 -31.61 70.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.82 -43.67 53.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -60.5 -32.03 71.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.807 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.1 t -83.05 5.17 23.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.932 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.25 -53.5 2.35 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.868 0.366 . . . . 0.0 110.789 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -56.66 -40.01 74.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -49.22 78.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.383 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.77 -32.3 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.854 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -80.73 -27.39 36.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.696 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -58.55 -28.36 65.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.198 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.84 0.352 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.469 ' O ' HG22 ' A' ' 62' ' ' THR . 2.7 m -65.63 -31.52 72.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.05 -45.77 19.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -58.04 -31.53 67.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 59' ' ' SER . 10.2 t -78.91 0.22 28.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.96 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.71 -50.83 2.69 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.8 0.333 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -35.3 71.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -51.46 65.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.374 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 66' ' ' VAL . 2.5 t -59.58 -33.69 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.249 0.547 . . . . 0.0 109.766 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -78.79 -25.9 44.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.625 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.95 -29.36 63.11 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.796 0.331 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.0 m -60.35 -31.57 70.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.01 -43.66 52.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.42 -32.02 70.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.2 t -82.93 5.11 23.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.962 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.31 -53.17 2.36 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.809 0.338 . . . . 0.0 110.799 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.02 -39.36 74.64 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -50.2 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.451 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.3 -33.29 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.208 0.528 . . . . 0.0 109.869 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -79.6 -26.17 41.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.599 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -29.79 64.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.839 0.352 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -60.42 -31.56 70.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.75 -43.67 53.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.45 -31.96 70.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.8 t -82.98 5.1 23.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -118.26 -53.18 2.36 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.831 0.348 . . . . 0.0 110.81 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -57.01 -39.42 74.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -50.11 74.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.482 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.38 -33.09 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.854 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -79.88 -26.19 40.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.629 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -30.07 65.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.134 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.845 0.355 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -65.53 -31.65 72.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.16 -46.5 41.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -59.94 -31.73 70.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.25 4.11 24.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.98 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.13 -53.63 2.25 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.84 0.352 . . . . 0.0 110.793 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -57.35 -37.87 73.25 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -50.61 72.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.367 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.34 -33.58 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.805 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -79.19 -26.18 42.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.563 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -29.65 67.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.193 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.826 0.346 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.3 -41.95 94.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.84 -45.55 77.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -60.43 -31.96 70.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.807 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.03 5.21 23.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.39 -53.24 2.34 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.815 0.34 . . . . 0.0 110.767 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -57.11 -39.09 74.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -50.27 74.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.46 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.28 -33.47 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.209 0.528 . . . . 0.0 109.867 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -79.51 -25.67 41.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.631 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.02 -29.12 63.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.172 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.819 0.342 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.6 m -70.59 -31.65 68.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.39 -43.26 57.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.46 -32.02 71.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.3 t -83.09 5.2 23.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.25 -53.47 2.35 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.848 0.356 . . . . 0.0 110.761 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -56.66 -40.18 75.05 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -49.37 77.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.379 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.7 -32.33 49.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.244 0.545 . . . . 0.0 109.93 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -80.54 -27.27 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.682 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -60.82 -28.57 68.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.223 -179.927 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -91.11 -60.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 123.035 2.49 . . . . 0.0 112.301 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 42.16 35.01 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.659 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -91.03 -54.06 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -60.37 -32.81 71.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.73 -52.27 64.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -56.38 -30.2 62.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.87 1.77 29.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.79 -50.54 2.6 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.78 0.324 . . . . 0.0 110.836 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -35.34 72.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.831 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.406 ' HE1' ' HA ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -63.62 -51.39 65.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.338 179.589 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.406 ' HA ' ' HE1' ' A' ' 65' ' ' MET . 2.5 t -59.61 -33.61 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.225 0.536 . . . . 0.0 109.753 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -78.83 -26.29 44.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.557 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.34 -29.95 64.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -146.31 37.06 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -19.09 61.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm 69.46 37.69 1.94 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.783 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 47.0 pt . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.209 -0.9 . . . . 0.0 111.64 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -91.06 -60.31 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.049 2.499 . . . . 0.0 112.321 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.446 ' HG2' ' HB3' ' A' ' 60' ' ' ALA . 5.0 tt0 42.2 61.3 2.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.606 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -90.54 -50.22 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.485 ' O ' HG22 ' A' ' 62' ' ' THR . 74.3 m -60.24 -31.57 70.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.446 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . . . -78.46 -48.96 14.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -55.22 -31.2 61.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.485 HG22 ' O ' ' A' ' 59' ' ' SER . 10.2 t -79.9 1.37 27.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.17 -50.4 2.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.794 0.331 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -58.82 -35.68 73.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.417 ' HE1' ' HA ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -63.33 -51.48 65.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.337 179.622 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.417 ' HA ' ' HE1' ' A' ' 65' ' ' MET . 2.5 t -59.49 -33.8 52.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.217 0.532 . . . . 0.0 109.769 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.665 ' HG3' HD11 ' A' ' 72' ' ' ILE . 53.8 tt0 -78.67 -26.08 44.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.562 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -58.76 -29.43 66.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.017 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -130.64 37.11 3.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.199 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.607 ' HE3' HD13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -93.88 -3.07 52.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.265 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt 68.57 57.44 0.43 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.665 HD11 ' HG3' ' A' ' 67' ' ' GLU . 2.5 pt . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -91.12 -60.34 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.989 2.459 . . . . 0.0 112.337 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 42.09 32.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.629 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -137.46 -64.72 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.36 -31.59 70.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.78 -43.64 53.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.096 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.45 -31.98 70.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.8 t -82.93 5.11 23.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.33 -53.13 2.36 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.81 0.338 . . . . 0.0 110.786 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -57.08 -39.39 74.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -50.22 74.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.435 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.34 -33.23 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.22 0.534 . . . . 0.0 109.876 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.66 -26.06 41.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.65 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -29.73 64.42 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -146.34 36.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -61.43 -19.1 61.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp 69.62 38.26 1.75 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.861 0.363 . . . . 0.0 110.768 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 38.3 pt . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.272 -0.87 . . . . 0.0 111.11 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -91.13 -60.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.023 2.482 . . . . 0.0 112.269 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 42.19 33.08 0.36 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.65 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -94.92 -38.98 10.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.6 m -60.36 -31.57 70.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.67 -43.74 53.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -60.28 -31.99 70.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.5 t -82.81 4.93 23.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.962 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.81 -52.84 2.32 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.832 0.349 . . . . 0.0 110.78 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -37.42 72.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -50.34 73.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.328 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.47 -33.16 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.223 0.535 . . . . 0.0 109.89 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -79.73 -26.29 40.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.658 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.92 -30.04 65.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.955 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.1 39.48 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.739 ' HE3' HD11 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -61.48 -19.25 61.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm 69.37 36.96 2.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.8 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.739 HD11 ' HE3' ' A' ' 70' ' ' LYS . 12.2 pt . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.156 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -91.08 -60.38 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.051 2.501 . . . . 0.0 112.293 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 42.07 32.51 0.31 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.636 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -107.6 -58.73 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -60.41 -34.17 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.88 -46.15 90.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.41 -31.93 70.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.96 5.16 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.972 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.35 -53.21 2.35 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.845 0.355 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -57.13 -39.15 74.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -50.29 74.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.43 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.27 -33.47 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.218 0.532 . . . . 0.0 109.862 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -79.44 -25.8 41.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.62 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.97 -29.15 62.97 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -149.42 38.27 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.681 ' HG2' HG23 ' A' ' 72' ' ' ILE . 10.0 ttpp -61.36 -19.49 61.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.043 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt 69.92 40.21 1.31 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.841 0.353 . . . . 0.0 110.771 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.681 HG23 ' HG2' ' A' ' 70' ' ' LYS . 13.7 pt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -91.13 -60.37 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 123.001 2.468 . . . . 0.0 112.276 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 42.12 32.45 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.684 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.69 -72.29 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.6 m -60.43 -31.57 70.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.93 -56.42 7.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.074 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -54.73 -31.15 57.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.64 1.01 27.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -115.22 -50.84 2.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.741 0.305 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -36.54 74.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -51.57 66.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.328 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.43 -34.06 53.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.205 0.526 . . . . 0.0 109.75 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -78.3 -25.66 46.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.578 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.64 -28.7 63.94 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.069 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -135.96 36.8 2.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.228 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.62 -3.06 58.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.275 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.49 38.88 15.48 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.856 0.36 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.5 pt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.12 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -91.08 -60.38 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 123.015 2.476 . . . . 0.0 112.278 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 42.1 32.45 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.692 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -107.49 -69.25 0.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.465 ' O ' HG22 ' A' ' 62' ' ' THR . 18.5 m -60.31 -31.5 70.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.32 -46.42 17.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -57.86 -31.41 66.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 59' ' ' SER . 10.2 t -78.99 0.21 28.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.7 -50.8 2.69 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.815 0.34 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.08 -35.26 71.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -51.37 65.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.304 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.418 HG23 ' H ' ' A' ' 66' ' ' VAL . 2.5 t -59.62 -33.4 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.228 0.537 . . . . 0.0 109.839 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -79.1 -26.38 42.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.603 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.81 -30.08 65.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.25 39.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.089 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.455 ' HB3' HG23 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -61.51 -19.18 61.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp 69.27 37.74 2.02 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.455 HG23 ' HB3' ' A' ' 70' ' ' LYS . 14.9 pt . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -91.15 -60.33 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.007 2.472 . . . . 0.0 112.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 42.08 32.46 0.3 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.693 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.58 -64.54 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 t -62.22 -31.68 72.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.62 -45.48 90.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.51 -31.91 70.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.96 5.12 23.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.34 -53.15 2.35 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.765 0.317 . . . . 0.0 110.783 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -57.1 -39.28 74.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -50.32 74.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.418 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.28 -33.36 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.189 0.518 . . . . 0.0 109.82 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -79.5 -26.13 41.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.612 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.79 -29.54 66.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -131.19 30.73 4.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.226 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -80.94 -3.3 51.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.319 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? 61.02 36.9 18.36 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.892 0.377 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 18.2 pt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.148 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -91.07 -60.37 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.022 2.482 . . . . 0.0 112.328 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 42.1 32.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.678 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -107.71 -59.47 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.0 m -60.38 -31.61 70.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.82 -43.67 53.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -60.5 -32.03 71.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.807 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.1 t -83.05 5.17 23.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.932 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.25 -53.5 2.35 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.868 0.366 . . . . 0.0 110.789 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -56.66 -40.01 74.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -49.22 78.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.383 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.77 -32.3 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.854 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -80.73 -27.39 36.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.696 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -58.55 -28.36 65.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -144.64 35.03 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.198 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.735 ' HG3' HG23 ' A' ' 72' ' ' ILE . 1.4 tptt -60.8 -19.65 59.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.04 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt 70.61 34.26 2.16 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.896 0.379 . . . . 0.0 110.777 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.735 HG23 ' HG3' ' A' ' 70' ' ' LYS . 16.7 pt . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -91.11 -60.36 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 122.959 2.439 . . . . 0.0 112.295 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 42.09 32.85 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.627 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.97 -73.76 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.469 ' O ' HG22 ' A' ' 62' ' ' THR . 2.7 m -65.63 -31.52 72.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.05 -45.77 19.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -58.04 -31.53 67.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 59' ' ' SER . 10.2 t -78.91 0.22 28.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.96 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.71 -50.83 2.69 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.8 0.333 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -35.3 71.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -51.46 65.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.374 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 66' ' ' VAL . 2.5 t -59.58 -33.69 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.249 0.547 . . . . 0.0 109.766 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -78.79 -25.9 44.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.625 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.95 -29.36 63.11 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -149.07 38.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.689 ' HG2' HG23 ' A' ' 72' ' ' ILE . 17.6 ttpt -61.29 -19.45 61.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm 69.82 40.24 1.34 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.9 0.381 . . . . 0.0 110.779 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.689 HG23 ' HG2' ' A' ' 70' ' ' LYS . 16.5 pt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -91.13 -60.4 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 123.036 2.491 . . . . 0.0 112.286 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 42.17 37.56 0.91 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.679 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.2 -53.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.0 m -60.35 -31.57 70.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.01 -43.66 52.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.42 -32.02 70.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.2 t -82.93 5.11 23.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.962 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.31 -53.17 2.36 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.809 0.338 . . . . 0.0 110.799 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.02 -39.36 74.64 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -50.2 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.451 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.3 -33.29 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.208 0.528 . . . . 0.0 109.869 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -79.6 -26.17 41.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.599 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -29.79 64.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -146.28 36.96 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -61.56 -19.1 61.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm 69.44 37.79 1.93 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.74 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 47.0 pt . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.713 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -91.09 -60.35 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.023 2.482 . . . . 0.0 112.313 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 42.12 32.45 0.31 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.653 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.96 -46.03 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -60.42 -31.56 70.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.75 -43.67 53.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.45 -31.96 70.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.8 t -82.98 5.1 23.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -118.26 -53.18 2.36 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.831 0.348 . . . . 0.0 110.81 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -57.01 -39.42 74.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -50.11 74.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.482 179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.468 HG12 ' HG3' ' A' ' 70' ' ' LYS . 2.5 t -59.38 -33.09 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.854 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -79.88 -26.19 40.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.629 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -30.07 65.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.06 39.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.468 ' HG3' HG12 ' A' ' 66' ' ' VAL . 2.4 ttpp -61.52 -19.27 61.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.066 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt 69.39 37.84 1.94 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.843 0.354 . . . . 0.0 110.786 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 19.2 pt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.127 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -91.04 -60.38 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.08 2.52 . . . . 0.0 112.335 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.572 ' HG2' ' HB3' ' A' ' 60' ' ' ALA . 1.0 OUTLIER 42.1 32.47 0.31 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.609 179.773 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.95 -38.67 66.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -65.53 -31.65 72.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.572 ' HB3' ' HG2' ' A' ' 57' ' ' GLU . . . -74.16 -46.5 41.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -59.94 -31.73 70.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.25 4.11 24.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.98 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.13 -53.63 2.25 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.84 0.352 . . . . 0.0 110.793 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -57.35 -37.87 73.25 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -50.61 72.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.367 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.34 -33.58 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.805 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -79.19 -26.18 42.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.563 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -29.65 67.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -131.04 30.82 4.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.193 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -81.18 -3.32 51.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.315 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? 60.97 36.39 18.71 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.769 0.319 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 42.2 pt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.681 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -91.13 -60.31 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 122.974 2.449 . . . . 0.0 112.331 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 42.13 32.51 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.635 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -107.21 -56.47 2.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.3 -41.95 94.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.84 -45.55 77.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -60.43 -31.96 70.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.807 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.03 5.21 23.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.39 -53.24 2.34 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.815 0.34 . . . . 0.0 110.767 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -57.11 -39.09 74.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -50.27 74.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.46 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.28 -33.47 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.209 0.528 . . . . 0.0 109.867 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -79.51 -25.67 41.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.631 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.02 -29.12 63.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -149.42 38.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.693 ' HG2' HG23 ' A' ' 72' ' ' ILE . 9.9 ttpp -61.32 -19.52 61.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.043 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt 69.93 40.18 1.31 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.883 0.373 . . . . 0.0 110.829 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.693 HG23 ' HG2' ' A' ' 70' ' ' LYS . 2.0 pt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.122 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -91.08 -60.33 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.024 2.483 . . . . 0.0 112.34 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 42.1 33.5 0.39 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.647 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.82 -67.12 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.6 m -70.59 -31.65 68.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.39 -43.26 57.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -60.46 -32.02 71.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.3 t -83.09 5.2 23.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.25 -53.47 2.35 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.848 0.356 . . . . 0.0 110.761 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -56.66 -40.18 75.05 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -49.37 77.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.379 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.7 -32.33 49.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.244 0.545 . . . . 0.0 109.93 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -80.54 -27.27 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.682 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -60.82 -28.57 68.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -125.17 30.24 5.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.223 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.463 ' HE2' HG22 ' A' ' 72' ' ' ILE . 1.0 OUTLIER -90.88 -3.04 57.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.292 179.81 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt 67.12 37.69 3.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.884 0.373 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.463 HG22 ' HE2' ' A' ' 70' ' ' LYS . 14.2 pt . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.122 -179.987 . . . . . . . . 1 1 . 1 stop_ save_